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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H29N5O4
Molecular Weight 535.5931
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPERLICIN

SMILES

[H][C@]12N[C@@H](CC(C)C)C(=O)N1C3=C(C=CC=C3)[C@@]2(O)C[C@@H]4NC(=O)C5=CC=CC=C5N6C(=O)C7=C(C=CC=C7)N=C46

InChI

InChIKey=MGMRIOLWEROPJY-FPACPZPDSA-N
InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H29N5O4
Molecular Weight 535.5931
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and evaluation of asperlicin analogues as non-peptidal cholecystokinin-antagonists.
2001
Synthesis of N-terminal substituted anthranilic acid dimer derivatives for evaluation on CCK receptors.
2001 Aug
2002 Alfred Burger Award Address in Medicinal Chemistry. Natural products and design: interrelated approaches in drug discovery.
2002 Dec 19
Cholecystokinin antagonists: pharmacological and therapeutic potential.
2003 Sep
Microwave-assisted concise total syntheses of quinazolinobenzodiazepine alkaloids.
2005 Dec 9
CuI-Catalyzed tandem intramolecular amidation using gem-dibromovinyl systems.
2006 Feb 16
Tin triflate-mediated total synthesis of circumdatin F, sclerotigenin, asperlicin C, and other quinazolino[3,2-a][1,4]benzodiazepines.
2009 Jan 28
Antidepressant/anxiolytic and anti-nociceptive effects of novel 2-substituted 1,4-benzodiazepine-2-ones.
2010 Apr-Jun
Total synthesis of asperlicin C, circumdatin F, demethylbenzomalvin A, demethoxycircumdatin H, sclerotigenin, and other fused quinazolinones.
2010 Jan 21
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:03:06 UTC 2023
Edited
by admin
on Fri Dec 15 18:03:06 UTC 2023
Record UNII
U0MJE9LRXV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASPERLICIN
MI  
Common Name English
(-)-ASPERLICIN
Common Name English
ASPERLICIN [MI]
Common Name English
(7S)-6,7-DIHYDRO-7-(((2S,9S,9AS)-2,3,9,9A-TETRAHYDRO-9-HYDROXY-2-(2-METHYLPROPYL)-3-OXO-1H-IMIDAZO(1,2-A)INDOL-9-YL)METHYL)QUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-5,13-DIONE
Common Name English
Code System Code Type Description
CAS
93413-04-8
Created by admin on Fri Dec 15 18:03:06 UTC 2023 , Edited by admin on Fri Dec 15 18:03:06 UTC 2023
PRIMARY
PUBCHEM
3035433
Created by admin on Fri Dec 15 18:03:06 UTC 2023 , Edited by admin on Fri Dec 15 18:03:06 UTC 2023
PRIMARY
MERCK INDEX
m2103
Created by admin on Fri Dec 15 18:03:06 UTC 2023 , Edited by admin on Fri Dec 15 18:03:06 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
ASPERLICIN
Created by admin on Fri Dec 15 18:03:06 UTC 2023 , Edited by admin on Fri Dec 15 18:03:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID20918456
Created by admin on Fri Dec 15 18:03:06 UTC 2023 , Edited by admin on Fri Dec 15 18:03:06 UTC 2023
PRIMARY
FDA UNII
U0MJE9LRXV
Created by admin on Fri Dec 15 18:03:06 UTC 2023 , Edited by admin on Fri Dec 15 18:03:06 UTC 2023
PRIMARY