Name: Name:Nbi-74330
Brand: Angene
SKU: AG00G3PA
Rating: 90 (10 reviews)

Nbi-74330

CAS No.:

855527-92-3

Catalog Number:

AG00G3PA

Molecular Formula:

C32H27F4N5O3

Molecular Weight:

605.5821

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

99%

1 week

United States

$265

- +

10mg

99%

1 week

United States

$404

- +

25mg

99%

1 week

United States

$682

- +

50mg

99%

1 week

United States

$1237

- +

100mg

99%

1 week

United States

$1932

- +

Product Description

Catalog Number:

AG00G3PA

Chemical Name:

Nbi-74330

CAS Number:

855527-92-3

Molecular Formula:

C32H27F4N5O3

Molecular Weight:

605.5821

MDL Number:

MFCD11850718

IUPAC Name:

N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide

InChI:

InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1

InChI Key:

XMRGQUDUVGRCBS-HXUWFJFHSA-N

SMILES:

CCOc1ccc(cc1)n1c(nc2c(c1=O)cccn2)[C@H](N(C(=O)Cc1ccc(c(c1)C(F)(F)F)F)Cc1cccnc1)C

Properties

Complexity:

1020

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

605.205g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

605.594g/mol

Monoisotopic Mass:

605.205g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Label-free impedance responses of endogenous and synthetic chemokine receptor CXCR3 agonists correlate with Gi-protein pathway activation.	Biochemical and biophysical research communications 20120309
Optimization of a series of quinazolinone-derived antagonists of CXCR3.	Bioorganic & medicinal chemistry letters 20090901
Pharmacological characterization of CXC chemokine receptor 3 ligands and a small molecule antagonist.	The Journal of pharmacology and experimental therapeutics 20050601