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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 of SGD-1882

SMILES

COC1=CC=C(C=C1)C2=CN3[C@@H](C2)C=NC4=CC(OCCCOC5=C(OC)C=C6C(=C5)N=C[C@@H]7CC(=CN7C6=O)C8=CC=C(N)C=C8)=C(OC)C=C4C3=O

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

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Binding Agent
1076
PubMed

PubMed

TitleDatePubMed
From Anthramycin to Pyrrolobenzodiazepine (PBD)-Containing Antibody-Drug Conjugates (ADCs).
2017-01-09
SGN-CD33A: a novel CD33-targeting antibody-drug conjugate using a pyrrolobenzodiazepine dimer is active in models of drug-resistant AML.
2013-08-22
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:22:25 GMT 2025
Edited
by admin
on Mon Mar 31 23:22:25 GMT 2025
Record UNII
IRE1I9FE08
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SGD-1882
Common Name English
J3.194.362K
Preferred 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
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
Created by admin on Mon Mar 31 23:22:25 GMT 2025 , Edited by admin on Mon Mar 31 23:22:25 GMT 2025
PRIMARY
PUBCHEM
45257190
Created by admin on Mon Mar 31 23:22:25 GMT 2025 , Edited by admin on Mon Mar 31 23:22:25 GMT 2025
PRIMARY
CAS
1222490-34-7
Created by admin on Mon Mar 31 23:22:25 GMT 2025 , Edited by admin on Mon Mar 31 23:22:25 GMT 2025
PRIMARY
EVMPD
SUB186956
Created by admin on Mon Mar 31 23:22:25 GMT 2025 , Edited by admin on Mon Mar 31 23:22:25 GMT 2025
PRIMARY
SMS_ID
100000172864
Created by admin on Mon Mar 31 23:22:25 GMT 2025 , Edited by admin on Mon Mar 31 23:22:25 GMT 2025
PRIMARY
NIH
NCATS
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