Name: Name:Cep-37440
Brand: Angene
SKU: AG009CAH
Rating: 90 (10 reviews)

Cep-37440

CAS No.:

1391712-60-9

Catalog Number:

AG009CAH

Molecular Formula:

C30H38ClN7O3

Molecular Weight:

580.1208

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$91

- +

5mg

99%

1 week

United States

$182

- +

10mg

99%

1 week

United States

$279

- +

25mg

≥98%

1 week

United States

$578

- +

50mg

99%

1 week

United States

$932

- +

100mg

99%

1 week

United States

$1478

- +

Product Description

Catalog Number:

AG009CAH

Chemical Name:

Cep-37440

CAS Number:

1391712-60-9

Molecular Formula:

C30H38ClN7O3

Molecular Weight:

580.1208

MDL Number:

MFCD28009441

IUPAC Name:

2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide

InChI:

InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1

InChI Key:

BCSHRERPHLTPEE-NRFANRHFSA-N

SMILES:

OCCN1CCN(CC1)C1CCCc2c(C1)ccc(c2OC)Nc1ncc(c(n1)Nc1ccccc1C(=O)NC)Cl

UNII:

O3MNS8782H

Properties

Complexity:

819

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

579.272g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

580.13g/mol

Monoisotopic Mass:

579.272g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
JAK inhibition as a therapeutic strategy for immune and inflammatory diseases.	Nature reviews. Drug discovery 20171228
JAK inhibition as a therapeutic strategy for immune and inflammatory diseases.	Nature reviews. Drug discovery 20171201
Discovery of Clinical Candidate CEP-37440, a Selective Inhibitor of Focal Adhesion Kinase (FAK) and Anaplastic Lymphoma Kinase (ALK).	Journal of medicinal chemistry 20160825
The effects of CEP-37440, an inhibitor of focal adhesion kinase, in vitro and in vivo on inflammatory breast cancer cells.	Breast cancer research : BCR 20160101

Properties