Linker Information
General Information of This Linker
| Linker ID |
LIN00068
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| Linker Name |
PAMAM linker
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| Linker Type |
GSH concentration-sensitive linkers
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| Structure |
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| Formula |
C341H646N134O70S3
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| #Ro5 Violations (Lipinski): 5 | Molecular Weight (mw) | 7839.988 | ||||
| Lipid-water partition coefficient (xlogp) | -48.1942 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 95 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 135 | |||||
| Rotatable Bond Count (rotbonds) | 356 | |||||
| Canonical smiles |
[N-]=[N+]=NCCCC(=O)NCCNC(=O)CCN(CCNC(=O)CCN(CCNC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCNC(=O)CCSSCCC(=O)O)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCNC(=O)CCCN=[N+]=[N-])CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCNC(=O)CCCn1nnc2c1-c1ccccc1CN(C(=O)CCNC(=O)CCN1C(=O)CC(S)C1=O)c1ccccc1-2)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN
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| InChI |
InChI=1S/C341H646N134O70S3/c342-75-106-373-274(479)16-171-443(172-17-275(480)374-107-76-343)228-142-409-302(507)40-195-455(196-41-303(508)410-143-229-444(173-18-276(481)375-108-77-344)174-19-277(482)376-109-78-345)240-154-421-314(519)48-203-459(210-55-321(526)428-161-247-466(214-59-310(515)417-150-236-451(187-32-290(495)389-122-91-358)188-33-291(496)390-123-92-359)218-63-325(530)436-169-255-472(265-335(540)400-133-102-369)226-71-301(506)407-139-136-403-273(478)14-7-170-475-340-267-9-2-1-8-266(267)261-474(269-11-4-3-10-268(269)339(340)439-442-475)336(541)15-105-372-330(535)72-227-473-337(542)260-270(546)341(473)545)248-162-429-326(531)64-219-467(220-65-327(532)430-163-249-460(207-52-318(523)425-158-244-463(215-60-322(527)433-166-252-469(262-332(537)397-130-99-366)223-68-295(500)394-127-96-363)211-56-307(512)414-147-233-448(181-26-284(489)383-116-85-352)182-27-285(490)384-117-86-353)204-49-315(520)422-155-241-456(197-42-304(509)411-144-230-445(175-20-278(483)377-110-79-346)176-21-279(484)378-111-80-347)200-45-311(516)418-151-237-452(189-34-292(497)391-124-93-360)192-37-298(503)404-137-134-401-271(476)12-5-103-437-440-370)256-257-468(221-66-328(533)431-164-250-461(208-53-319(524)426-159-245-464(216-61-323(528)434-167-253-470(263-333(538)398-131-100-367)224-69-296(501)395-128-97-364)212-57-308(513)415-148-234-449(183-28-286(491)385-118-87-354)184-29-287(492)386-119-88-355)205-50-316(521)423-156-242-457(198-43-305(510)412-145-231-446(177-22-280(485)379-112-81-348)178-23-281(486)380-113-82-349)201-46-312(517)419-152-238-453(190-35-293(498)392-125-94-361)193-38-299(504)405-138-135-402-272(477)13-6-104-438-441-371)222-67-329(534)432-165-251-462(209-54-320(525)427-160-246-465(217-62-324(529)435-168-254-471(264-334(539)399-132-101-368)225-70-297(502)396-129-98-365)213-58-309(514)416-149-235-450(185-30-288(493)387-120-89-356)186-31-289(494)388-121-90-357)206-51-317(522)424-157-243-458(199-44-306(511)413-146-232-447(179-24-282(487)381-114-83-350)180-25-283(488)382-115-84-351)202-47-313(518)420-153-239-454(191-36-294(499)393-126-95-362)194-39-300(505)406-140-141-408-331(536)73-258-547-548-259-74-338(543)544/h1-4,8-11,270,546H,5-7,12-265,342-369H2,(H,372,535)(H,373,479)(H,374,480)(H,375,481)(H,376,482)(H,377,483)(H,378,484)(H,379,485)(H,380,486)(H,381,487)(H,382,488)(H,383,489)(H,384,490)(H,385,491)(H,386,492)(H,387,493)(H,388,494)(H,389,495)(H,390,496)(H,391,497)(H,392,498)(H,393,499)(H,394,500)(H,395,501)(H,396,502)(H,397,537)(H,398,538)(H,399,539)(H,400,540)(H,401,476)(H,402,477)(H,403,478)(H,404,503)(H,405,504)(H,406,505)(H,407,506)(H,408,536)(H,409,507)(H,410,508)(H,411,509)(H,412,510)(H,413,511)(H,414,512)(H,415,513)(H,416,514)(H,417,515)(H,418,516)(H,419,517)(H,420,518)(H,421,519)(H,422,520)(H,423,521)(H,424,522)(H,425,523)(H,426,524)(H,427,525)(H,428,526)(H,429,531)(H,430,532)(H,431,533)(H,432,534)(H,433,527)(H,434,528)(H,435,529)(H,436,530)(H,543,544)
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| InChIKey |
DVWHNCLRUFSAKX-UHFFFAOYSA-N
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Each Peptide-drug Conjugate Related to This Linker
Full Information of The Activity Data of The PDC(s) Related to This Linker
pHLIP-PAMAM-DOX [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
15%
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| Administration Time | 72 h | ||||
| Administration Dosage | 10 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 2 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
20%
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| Administration Time | 72 h | ||||
| Administration Dosage | 2.5 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 3 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
20%
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| Administration Time | 72 h | ||||
| Administration Dosage | 5.0 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 4 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
90%
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| Administration Time | 72 h | ||||
| Administration Dosage | 0.16 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 5 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
90%
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| Administration Time | 72 h | ||||
| Administration Dosage | 0.31 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 6 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
90%
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| Administration Time | 72 h | ||||
| Administration Dosage | 1.3 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 7 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
95%
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| Administration Time | 72 h | ||||
| Administration Dosage | 0.63 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
|
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 8 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
98%
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| Administration Time | 72 h | ||||
| Administration Dosage | 10 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 9 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
100%
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| Administration Time | 72 h | ||||
| Administration Dosage | 2.5 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
| Experiment 10 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Tumor | ||||
| Efficacy Data | Cell viability |
100%
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| Administration Time | 72 h | ||||
| Administration Dosage | 5.0 µM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
The cytotoxicity data for the pHLIP-PAMAM-DOX conjugate mirrored quite closely that of the pHLIP-S-S-DOX conjugate, particularly at the higher concentrations (>1.25 μM). However, at lower pHLIP concentrations (0.16 μM-0.63 μM), the PAMAM conjugate exhibited higher cytotoxicity than the single DOX conjugate (˜up to 17% higher toxicity).
Click to Show/Hide
|
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| In Vitro Model | Endocervical adenocarcinoma | HeLa cell | CVCL_0030 | ||
References