Name: Name:Urea, N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methyl-, phosphate (1:1)
Brand: Angene
SKU: AG000VHN
Rating: 90 (10 reviews)

Urea, N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methyl-, phosphate (1:1)

CAS No.:

1310746-10-1

Catalog Number:

AG000VHN

Molecular Formula:

C26H34Cl2N7O7P

Molecular Weight:

658.4706

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

97%

1 week

United States

$126

- +

10mg

97%

1 week

United States

$154

- +

Product Description

Catalog Number:

AG000VHN

Chemical Name:

Urea, N'-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methyl-, phosphate (1:1)

CAS Number:

1310746-10-1

Molecular Formula:

C26H34Cl2N7O7P

Molecular Weight:

658.4706

MDL Number:

MFCD26960938

IUPAC Name:

3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea;phosphoric acid

InChI:

InChI=1S/C26H31Cl2N7O3.H3O4P/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;1-5(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);(H3,1,2,3,4)

InChI Key:

GUQNHCGYHLSITB-UHFFFAOYSA-N

SMILES:

OP(=O)(O)O.CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C

UNII:

58BH47BV6S

Properties

Complexity:

773

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

657.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

658.474g/mol

Monoisotopic Mass:

657.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

173A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.	Journal of medicinal chemistry 20111027