Name: Name:Dcc-2036
Brand: Angene
SKU: AG0006BU
Rating: 90 (10 reviews)

Dcc-2036

CAS No.:

1020172-07-9

Catalog Number:

AG0006BU

Molecular Formula:

C30H28FN7O3

Molecular Weight:

553.5868

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$108

- +

5mg

99%

1 week

United States

$154

- +

10mg

99%

1 week

United States

$223

- +

50mg

99%

1 week

United States

$460

- +

Product Description

Catalog Number:

AG0006BU

Chemical Name:

Dcc-2036

CAS Number:

1020172-07-9

Molecular Formula:

C30H28FN7O3

Molecular Weight:

553.5868

MDL Number:

MFCD19443646

IUPAC Name:

4-[4-[(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

InChI:

InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)

InChI Key:

WVXNSAVVKYZVOE-UHFFFAOYSA-N

SMILES:

CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1cc(nn1c1ccc2c(c1)cccn2)C(C)(C)C

UNII:

75017Q6I97

Properties

Complexity:

904

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

553.224g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

553.598g/mol

Monoisotopic Mass:

553.224g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

123A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9

Literature

Title	Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach.	Bioorganic & medicinal chemistry letters 20130801
Philadelphia-positive acute lymphoblastic leukemia: current treatment options.	Current oncology reports 20121001
The BCR-ABL35INS insertion/truncation mutant is kinase-inactive and does not contribute to tyrosine kinase inhibitor resistance in chronic myeloid leukemia.	Blood 20111110
The ABL switch control inhibitor DCC-2036 is active against the chronic myeloid leukemia mutant BCR-ABLT315I and exhibits a narrow resistance profile.	Cancer research 20110501
Conformational control inhibition of the BCR-ABL1 tyrosine kinase, including the gatekeeper T315I mutant, by the switch-control inhibitor DCC-2036.	Cancer cell 20110412
Targeting the BCR-ABL signaling pathway in therapy-resistant Philadelphia chromosome-positive leukemia.	Clinical cancer research : an official journal of the American Association for Cancer Research 20110115

Properties