General Information of This Payload
Payload ID
PAY0CEJRH
Name
HDP 30.0643
Synonyms
HDP 30.0643; HY-P2235; CS-0114422
   Click to Show/Hide
Target(s) DNA-directed RNA polymerase II subunit RPB2 (POLR2B); DNA-directed RNA polymerase III subunit RPC7 (POLR3G)
Structure
Formula
C50H70N12O18S
Isosmiles
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)OCCCCCCNC(=O)ON6C(=O)CCC6=O
PubChem CID
146014797
InChI
InChI=1S/C50H70N12O18S/c1-4-24(2)41-46(74)54-19-37(67)55-33-23-81(78)48-29(28-10-9-27(16-30(28)58-48)79-14-8-6-5-7-13-52-50(77)80-62-39(69)11-12-40(62)70)17-31(43(71)53-20-38(68)59-41)56-47(75)42(25(3)35(65)22-63)60-45(73)34-15-26(64)21-61(34)49(76)32(18-36(51)66)57-44(33)72/h9-10,16,24-26,31-35,41-42,58,63-65H,4-8,11-15,17-23H2,1-3H3,(H2,51,66)(H,52,77)(H,53,71)(H,54,74)(H,55,67)(H,56,75)(H,57,72)(H,59,68)(H,60,73)/t24-,25-,26+,31-,32-,33-,34-,35-,41-,42-,81+/m0/s1
InChIKey
ZUPAIYBTROLQFQ-FRMVGWQGSA-N
IUPAC Name
(2,5-dioxopyrrolidin-1-yl) N-[6-[[(1R,4S,8R,10S,13S,16S,27R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexyl]carbamate
Pharmaceutical Properties
Molecule Weight
1159.2
Polar area
465
Complexity
2390
xlogp Value
-3.8
Heavy Count
81
Rot Bonds
17
Hbond acc
19
Hbond Donor
13
Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
Her-30.0643 [Investigative]
Discovered Using Cell Line-derived Xenograft Model
Click To Hide/Show 4 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [1]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 89.51% (Day 17) Moderate HER2 expression (HER2++)
Method Description
Six-week old intact female NMRI nu/nu athymic mice were purchaseo and randomly divided into three groups of eight mice each. 5,000,000 JIMT-cells were injected s.c. into the flank of each mouse. The Her-30.0643 [4.4] was injected once i.v. at a doseof 30 ug/kg with respect to amanitin at day 14.
In Vivo Model JIMT-1 CDX model
In Vitro Model Breast ductal carcinoma JIMT-1 cells CVCL_2077
Experiment 2 Reporting the Activity Date of This ADC [1]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 99.05% (Day 17) Moderate HER2 expression (HER2++)
Method Description
Six-week old intact female NMRI nu/nu athymic mice were purchaseo and randomly divided into three groups of eight mice each. 5,000,000 JIMT-cells were injected s.c. into the flank of each mouse. The Her-30.0643 [4.4] was injected once i.v. at a doseof 150 ug/kg with respect to amanitin at day 14.
In Vivo Model JIMT-1 CDX model
In Vitro Model Breast ductal carcinoma JIMT-1 cells CVCL_2077
Experiment 3 Reporting the Activity Date of This ADC [1]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 100.00% (Day 28) Moderate HER2 expression (HER2++)
Method Description
Six-week old intact female NMRI nu/nu athymic mice were purchaseo and randomly divided into three groups of eight mice each. 5,000,000 JIMT-cells were injected s.c. into the flank of each mouse. The Her-30.0643 [4.4] was injected once i.v. at a doseof 150 ug/kg with respect to amanitin at day 14.
In Vivo Model JIMT-1 CDX model
In Vitro Model Breast ductal carcinoma JIMT-1 cells CVCL_2077
Experiment 4 Reporting the Activity Date of This ADC [1]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 100.00% (Day 28) Moderate HER2 expression (HER2++)
Method Description
Six-week old intact female NMRI nu/nu athymic mice were purchaseo and randomly divided into three groups of eight mice each. 5,000,000 JIMT-cells were injected s.c. into the flank of each mouse. The Her-30.0643 [4.4] was injected once i.v. at a doseof 30 ug/kg with respect to amanitin at day 14.
In Vivo Model JIMT-1 CDX model
In Vitro Model Breast ductal carcinoma JIMT-1 cells CVCL_2077
Revealed Based on the Cell Line Data
Click To Hide/Show 3 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal Effective Concentration (EC50)
0.02 nM
High HER2 expression (HER2 +++)
Method Description
Cell viability was determined after -72 h -incubation with different concentrations of conjugates at 37°C and 5% CO2 by measurement of fixed andpermeabilized cells with an ant-BrdU-HRP antibody.
In Vitro Model Breast adenocarcinoma SK-BR-3 cells CVCL_0033
Experiment 2 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal Effective Concentration (EC50)
0.03 nM
High HER2 expression (HER2 +++)
Method Description
Cell viability was determined after -72 h -incubation with different concentrations of conjugates at 37°C and 5% CO2 by measurement of fixed andpermeabilized cells with an ant-BrdU-HRP antibody.
In Vitro Model Ovarian serous cystadenocarcinoma SK-OV-3 cells CVCL_0532
Experiment 3 Reporting the Activity Date of This ADC [1]
Efficacy Data Half Maximal Effective Concentration (EC50)
1.00 nM
Moderate HER2 expression (HER2++)
Method Description
Cell viability was determined after -72 h -incubation with different concentrations of conjugates at 37°C and 5% CO2 by measurement of fixed andpermeabilized cells with an ant-BrdU-HRP antibody.
In Vitro Model Breast ductal carcinoma JIMT-1 cells CVCL_2077
References
Ref 1 Amatoxin derivatives.

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