ischemin , CAS No.1357059-00-7, Inhibitor of CREB binding protein

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Item Number
I611159
Grouped product items
SKUSizeAvailabilityPrice Qty
I611159-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$570.90
I611159-25mg
25mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

SynonymsIschemin | 1357059-00-7 | 5-[(E)-(2-Amino-4-Hydroxy-5-Methylphenyl)diazenyl]-2,4-Dimethylbenzenesulfonic Acid | (E)-5-((2-Amino-4-hydroxy-5-methylphenyl)diazenyl)-2,4-dimethylbenzenesulfonic acid | MS120 | starbld0044871 | GTPL7506 | CHEMBL1615026 | SCHEMBL12484996 | CHEBI
Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of CREB binding protein

Associated Targets(Human)

CREBBP Tchem CREB-binding protein (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CREBBP Tchem CREB-binding protein (1602 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name 5-[(2E)-2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2,4-dimethylbenzenesulfonic acid
INCHI InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,17H,16H2,1-3H3,(H,20,21,22)/b18-13+
InChi Key WGEVKJVUKOELFY-QGOAFFKASA-N
Canonical SMILES NC1=CC(=O)C(=C/C/1=N\Nc1cc(c(cc1C)C)S(=O)(=O)O)C
Isomeric SMILES CC1=CC(=C(C=C1N=NC2=C(C=C(C(=C2)C)O)N)S(=O)(=O)O)C
PubChem CID 135566302

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight335.400 g/mol
XLogP32.500
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass335.094 Da
Monoisotopic Mass335.094 Da
Topological Polar Surface Area134.000 Ų
Heavy Atom Count23
Formal Charge0
Complexity533.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

Specifications

References

1. Borah JC, Mujtaba S, Karakikes I, Zeng L, Muller M, Patel J, Moshkina N, Morohashi K, Zhang W, Gerona-Navarro G et al..  (2011)  A small molecule binding to the coactivator CREB-binding protein blocks apoptosis in cardiomyocytes..  Chem Biol,  18  (4): (531-41).  [PMID:21513889] [10.1021/op500134e]

Solution Calculators

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