Compound Summary


  Compound Information
 U0126

Compound Name:

U0126

Compound CID:

3006531

Synonyms:

U0126

109511-58-2

U-0126

1,4-Diamino-2,3-dicyano-1,4-bis(o-aminophenylmercapto)butadiene

U 0126

More...

Iupac Name:

(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile

InChI:

InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+

InChIKey:

DVEXZJFMOKTQEZ-JYFOCSDGSA-N

Canonical Smiles:

C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N

Isomeric Smiles:

C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\N)/C#N)\C#N)/N

Molecular Weight:

380.5

Molecular Formula:

C18H16N6S2

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 U0126

Molecular Weight:

380.5

Molecular Formula:

C18H16N6S2

Hydrogen Bond Donor Count:

4

Hydrogen Bond Acceptor Count:

8

Rotatable Bond Count:

5

Heavy Atom Count:

26

Complexity:

610

  Synonyms
 U0126

U0126 U0126

U0126

109511-58-2

U-0126

1,4-Diamino-2,3-dicyano-1,4-bis(o-aminophenylmercapto)butadiene

U 0126

UNII-8027P94HLL

CHEBI:64208

(2Z,3Z)-2,3-bis(amino((2-aminophenyl)thio)methylene)succinonitrile

8027P94HLL

C18H16N6S2

(2Z,3Z)-bis{amino(2-aminophenyl)sulfanylmethylidene}butanedinitrile

109511-58-2 (free)

218601-62-8

FT-1069-1

1173097-76-1

(2z)-Bis{amino(2-Aminophenyl)sulfanylmethylidene}butanedinitrile

(2Z,3Z)-bis{amino(2-aminophenyl)sulfanylmethylene}succinonitrile

1,4-Diamino-2,3-dicyano-1,4-bis2-aminophenylthiobutadiene

MFCD01861186

(2Z,3Z)-2,3-bisamino-(2-aminophenyl)sulfanylmethylidenebutanedinitrile

UO-126

BiomolKI_000002

BiomolKI2_000012

BMK1-B2

BSPBio_001224

CHEMBL34704

GTPL5282

Succinonitrile, bis(amino(o-aminophenylthio)methylene)-

CHEBI:90693

CHEBI:91463

Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-

DTXSID10892034

HMS1362N05

HMS1792N05

HMS1990N05

HMS3403N05

HMS3414K05

HMS3678K05

AMY31125

BCP01851

EX-A1754

HY-12031A

(2Z,3Z)-2,3-bisamino-(2-aminophenyl)sulfanyl-methylenebutanedinitrile

(2Z,3Z)-bis({amino(2-aminophenyl)sulfanylmethylidene})butanedinitrile

AKOS024456414

ZINC100007148

CCG-100606

LS40194

IDI1_002207

SMP2_000197

NCGC00025029-02

NCGC00025029-03

NCGC00025029-04

CS-0003351

U 126

V2422

A846574

A906530

SR-01000597365

J-002297

Q7863562

SR-01000597365-1

BRD-K18787491-001-04-5

BRD-K46419649-001-01-8

2,3-Bis(amino((2-aminophenyl)thio)methylene)succinonitrile

Butanedinitrile,2,3-bisamino(2-aminophenyl)thiomethylene-

(2Z,3Z)-2,3-Bisamino(2-aminophenyl)thiomethylenebutanedinitrile

Butanedinitrile, bis(amino((2-aminophenyl)thio)methylene)-, (2Z,3Z)-

5BM

  Experimental Data
 U0126

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Caenorhabditis elegans 33 umol/L -21 NS N2 24134630 Inactive
  Experimental Data Visualization
 U0126

  Statistics Data
 U0126

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Caenorhabditis elegans -21 1 1
  Statistics Data Visualization
 U0126