DIINDENO(1,2-C:1',2'-E)PYRIDAZIN-12(7H)-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H10N2O
Molecular Weight	270.2848
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIINDENO(1,2-C:1',2'-E)PYRIDAZIN-12(7H)-ONE

Structure Search

SMILES

O=C1C2=C(C=CC=C2)C3=C1C4=C(CC5=C4C=CC=C5)N=N3

InChI

InChIKey=DXLRHOVMJIANEN-UHFFFAOYSA-N

InChI=1S/C18H10N2O/c21-18-13-8-4-3-7-12(13)17-16(18)15-11-6-2-1-5-10(11)9-14(15)19-20-17/h1-8H,9H2

HIDE SMILES / InChI

Molecular Formula	C18H10N2O
Molecular Weight	270.2848
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:25:56 GMT 2023` Edited by `admin` on `Sat Dec 16 09:25:56 GMT 2023`
Record UNII	B2TXV3EH95
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIINDENO(1,2-C:1',2'-E)PYRIDAZIN-12(7H)-ONE

Systematic Name

English

KLB-6

Common Name

English

11,12-DIAZAPENTACYCLO(11.7.0.0(2,10).0(3,8).0(14,19))ICOSA-1(13),2(10),3(8),4,6,11,14(19),15,17-NONAEN-20-ONE

Systematic Name

English

NSC-680360

Code

English

Code System Code Type Description

FDA UNII

B2TXV3EH95

Created by admin on Sat Dec 16 09:25:56 GMT 2023 , Edited by admin on Sat Dec 16 09:25:56 GMT 2023

PRIMARY

CAS

161111-76-8

Created by admin on Sat Dec 16 09:25:56 GMT 2023 , Edited by admin on Sat Dec 16 09:25:56 GMT 2023

PRIMARY

PUBCHEM

387040

Created by admin on Sat Dec 16 09:25:56 GMT 2023 , Edited by admin on Sat Dec 16 09:25:56 GMT 2023

PRIMARY

NSC

680360

Created by admin on Sat Dec 16 09:25:56 GMT 2023 , Edited by admin on Sat Dec 16 09:25:56 GMT 2023

PRIMARY

Related Record Type Details


					TH6K9M9WMM

KLB-1

PARENT -> DERIVATIVE

Comments:

Analogue of compound KLB-1 and it?s ability to inhibit growth of PhIP-resistant clones. Molecular weight = 270.29; IC50 PhIP = 7.7 umol/L. Screening used a derivative of the human colorectal cancer cell line, HCT116, that harbors an additional copy of chromosome 3 to correct for mutL homologue 1 deficiency and microsatellite instability.

Amount: