AG957

CAT: 0931-T21785-04Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T21785-04Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

140674-76-6

Target

Bcr-Abl

Related Pathways

Cytoskeletal Signaling, Tyrosine Kinase/Adaptors, Angiogenesis

Purity

0.9927

Bioactivity

Tyrphostin AG957, a tyrosine kinase inhibitor with anti-BCR/ABL tyrosine kinase activity restores beta1 integrin-mediated adhesion and inhibitory signaling in chronic myelogenous leukemia hematopoietic progenitors[1].

Smiles

COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1

Molecular Formula

C15H15NO4

Molecular Weight

273.28

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester

4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid methyl ester is an aromatic amine.

CAS Number	140674-76-6
PubChem CID	2064
IUPAC Name	methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
Molecular Formula	C15H15NO4
Molecular Weight	273.28
XLogP	2.5
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	315

SMILES

COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O

InChI

InChI=1S/C15H15NO4/c1-20-15(19)10-2-4-12(5-3-10)16-9-11-8-13(17)6-7-14(11)18/h2-8,16-18H,9H2,1H3

InChIKey

QSFREBZMBNRGOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 140674-76-6

CID: 2064

Formula: C15H15NO4

MW: 273.28

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	273.28
XLogP3	2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	273.10010796
Monoisotopic Mass	273.10010796
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	315
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5773183	AG957
HY-117718R	AG957 (Standard)
563556	Tyrphostin AG957

AG957

Chemical Information

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