CAS 937265-83-3|Arry-380|6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)-N-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazolin-4-amine|6-(5-{[(2-methanesulfonylethyl)amino]m...

General Information

Structure

Molecular Formula

C₂₉H₂₇N₇O₄S

Molecular Mass

569.63418

Exact Mass

569.18452338

Charge

InChI

InChI=1S/C29H27N7O4S/c1-19-13-21(4-7-26(19)39-22-9-11-36-28(15-22)32-18-34-36)35-29-24-14-20(3-6-25(24)31-17-33-29)27-8-5-23(40-27)16-30-10-12-41(2,37)38/h3-9,11,13-15,17-18,30H,10,12,16H2,1-2H3,(H,31,33,35)

InChIKey

QVMNYGOVNWWFKF-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C

Isomeric Smiles

n1cnc(c2cc(ccc12)c1oc(cc1)CNCCS(=O)(=O)C)Nc1cc(c(cc1)Oc1cc2n(cc1)ncn2)C

Calculated Properties

JChem

Acid pKa

16.262888

H Acceptors

H Donor

LogD (pH = 5.5)

1.8223251

LogD (pH = 7.4)

3.3167272

Log P

3.5302303

Molar Refractivity

166.2959

Polarizability

61.813393

Polar Surface Area

136.54

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Arry-3806-[5-[[[2-(Methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-4-quinazolinamineARRY 380

IUPAC name

6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)-N-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazolin-4-amine

IUPAC Traditional name

6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)-N-(3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}phenyl)quinazolin-4-amine

Names and Identifiers

Registration numbers

CAS Number

937265-83-3

PubChem CID

42598643

PubChem SID

162038222

Registration numbers

Properties

Product Information

Salt Data

Free Base

Certificate of Analysis

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Safety Information

Storage Condition

-20°C

MSDS Link

Download link

Pharmacology Properties

Target

HER2

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Selleck Chemicals

S2752

Research Area

Description

Solid tumours , Breast cancer

Biological Activity

Description

ARRY-380 is a potent and selective HER2 inhibitor with IC50 of 8 nM.

Targets

HER2

IC₅₀

8 nM

In Vitro

ARRY-380 is equipotent against truncated p95-HER2 with IC50 of 7 nM. ^[1] However, ARRY-380 suppresses EGFR with IC50 of 4 μM. ARRY-380 is about 500-fold selective for HER2 versus EGFR. ^[1]

In Vivo

ARRY-380 significantly prevents the growth of tumor in multiple HER2-dependent tumor xenograft models and displays additive activity in combination with standard-of-care agents. ^[1]

Clinical Trials

ARRY-380 is in a phase I clinical trial for the treatment of breast cancer.

Features