SGD-1882

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H39N5O7
Molecular Weight	725.7884
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(=CN1C(=O)C3=C(C=C(OCCCOC4=CC5=C(C=C4OC)C(=O)N6C=C(C[C@@]6([H])C=N5)C7=CC=C(OC)C=C7)C(OC)=C3)N=C2)C8=CC=C(N)C=C8

InChI

InChIKey=OMRPLUKQNWNZAV-CONSDPRKSA-N

InChI=1S/C42H39N5O7/c1-50-32-11-7-26(8-12-32)28-16-31-22-45-36-20-40(38(52-3)18-34(36)42(49)47(31)24-28)54-14-4-13-53-39-19-35-33(17-37(39)51-2)41(48)46-23-27(15-30(46)21-44-35)25-5-9-29(43)10-6-25/h5-12,17-24,30-31H,4,13-16,43H2,1-3H3/t30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H39N5O7
Molecular Weight	725.7884
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
DNA 278 Target ID: CHEMBL2311221 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23770776 \| https://www.cancer.gov/publications/dictionaries/cancer-drug/def/vadastuximab-talirine	Binding Agent 1064

PubMed

Title	Date	PubMed
SGN-CD33A: a novel CD33-targeting antibody-drug conjugate using a pyrrolobenzodiazepine dimer is active in models of drug-resistant AML.	2013 Aug 22	23770776
From Anthramycin to Pyrrolobenzodiazepine (PBD)-Containing Antibody-Drug Conjugates (ADCs).	2017 Jan 9	27862776

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:38:30 GMT 2023` Edited by `admin` on `Sat Dec 16 10:38:30 GMT 2023`
Record UNII	IRE1I9FE08
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SGD-1882

Common Name

English

5H-PYRROLO(2,1-C)(1,4)BENZODIAZEPIN-5-ONE, 2-(4-AMINOPHENYL)-8-(3-(((11AS)-5,11A-DIHYDRO-7-METHOXY-2-(4-METHOXYPHENYL)-5-OXO-1H-PYRROLO(2,1-C)(1,4)BENZODIAZEPIN-8-YL)OXY)PROPOXY)-1,11A-DIHYDRO-7-METHOXY-, (11AS)-

Systematic Name

English

J3.194.362K

Code

English

PBD DIMER

Common Name

English

8-(3-((2-(4-AMINOPHENYL)-7-METHOXY-5-OXO-1,11A.BETA.-DIHYDRO-5H-PYRROLO(2,1-C)(1,4)BENZODIAZEPINE-8-YL)OXY)PROPOXY)-7-METHOXY-2-(4-METHOXYPHENYL)-1,11A.BETA.-DIHYDRO-5H-PYRROLO(2,1-C)(1,4)BENZODIAZEPINE-5-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

IRE1I9FE08