Basic information
- CAS
140674-76-6- Standard SMILES
COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1- InChIKey
QSFREBZMBNRGOK-UHFFFAOYSA-N- Molecular formula
- C15H15NO4
- Average molar mass
- 273.28 g/mol
- Monoisotopic mass
- 273.10010796
Overview
4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid methyl ester is an aromatic amine.
Names & identifiers
- Preferred name
- Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
- IUPAC
- methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
- English name
- AG 957
- Molecular formula
- C15H15NO4
- Molecular weight
- 273.28
Names & synonyms
140674-76-6ag957Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl esterTyrphostin AG957Methyl 4-((2,5-dihydroxybenzyl)amino)benzoatemethyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoateAG-957MLS002701581Methyl 4-{[(2,5-dihydroxyphenyl)methyl]amino}benzoateNCIMech_000518cid_2064methyl 4-[(2,5-dihydroxybenzyl)amino]benzoate
Show more names
NSC 654705TYRPHOSTIN 957TYRPHOSTIN AG 957LAVENDUSTIN C ANALOGAG957, 10 mM in DMSO4-AMINO-N-(2,5-DIHYDROXYBENZYL)METHYL BENZOATETyrphostin AG 957, p210 tyrosine kinase inhibitorMETHYL-4-[N-(2',5'-DIHYDROXYBENZYL)AMINO]BENZOATE
DTXSID70274352CCG-36396HSCI1_000164NSC654705NCI60_018914SMR0015651824-[(2,5-dihydroxyphenyl)methylamino]benzoic acid methyl esterAG 957
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 504.2 · 504.2±45.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO: soluble
- form
- crystalline solid
- pka
- 10.3 · 10.30±0.43(Predicted)
- color
- Off-white to light brown
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Applications
DescriptionTyrphostins are tyrosine phosphorylation inhibitors that act by inhibiting tyrosine kinases. AG957 is a tyrphostin that targets transforming Bcr-Abl fusion proteins (p185Bcr-Abl, p210Bcr-Abl), as well as normal c-Abl (IC50s = 4.3, 1, and 7.1 μM, respectively, for human proteins). It also inhibits epidermal growth factor receptor (IC50 = 0.25 μM). As the constitutively-active 210 kDa Bcr-Abl fusion protein commonly occurs in chronic myelogenous leukemia (CML) cells, AG957 is commonly used to study Bcr-Abl signaling in the CML K562 cell line. AG957 is also used to study signaling through c-Abl.
UsesTyrphostin AG 957 is a potent tyrosine kinase inhibitor. Also, it causes metabolic alterations in K562 cells. It is a COVID19-related research product.
Suppliers23 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…