Name: Name:1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one
Brand: Angene
SKU: AG0039LB
Rating: 90 (10 reviews)

1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one

CAS No.:

1092364-38-9

Catalog Number:

AG0039LB

Molecular Formula:

C23H21Cl2FN4O3

Molecular Weight:

491.3422

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥95%

1 week

United States

$94

- +

5mg

≥95%

1 week

United States

$160

- +

10mg

≥95%

1 week

United States

$226

- +

25mg

≥95%

1 week

United States

$432

- +

50mg

99%

1 week

United States

$707

- +

100mg

99%

1 week

United States

$1040

- +

Product Description

Catalog Number:

AG0039LB

Chemical Name:

1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one

CAS Number:

1092364-38-9

Molecular Formula:

C23H21Cl2FN4O3

Molecular Weight:

491.3422

MDL Number:

MFCD28044290

IUPAC Name:

1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one

InChI:

InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)

InChI Key:

LPFWVDIFUFFKJU-UHFFFAOYSA-N

SMILES:

C=CC(=O)N1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)Cl

UNII:

OEI6OOU6IK

Properties

Complexity:

684

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

490.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

491.344g/mol

Monoisotopic Mass:

490.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4

Literature

Title	Journal
Antitumor activity of HM781-36B, a highly effective pan-HER inhibitor in erlotinib-resistant NSCLC and other EGFR-dependent cancer models.	International journal of cancer 20120515
Antitumor activity of HM781-36B, an irreversible Pan-HER inhibitor, alone or in combination with cytotoxic chemotherapeutic agents in gastric cancer.	Cancer letters 20110328

Properties