Crenolanib

CAT: 0127-BUP10081-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10081-04Size:25 mg

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CAS Number

670220-88-9

Synonyms

ARO 002, CP-868596

Purity

=95%

Smiles

CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1

Chemical Information

Crenolanib

Crenolanib is a member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a 8-(4-aminopiperidin-1-yl)quinolin-2-yl group at position 1 and by a (3-methyloxetan-3-yl)methoxy group at position 5. It is an inhibitor of type III tyrosine kinases, PDGFRalpha/beta and FLT3 (IC50 of 11, 3.2, and 4 nM). Currently under clinical development for the treatment of acute myeloid leukemia. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer. It is a member of benzimidazoles, a member of quinolines, an aromatic ether, a member of oxetanes, an aminopiperidine and a tertiary amino compound.

CAS Number	670220-88-9
PubChem CID	10366136
IUPAC Name	1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
Molecular Formula	C26H29N5O2
Molecular Weight	443.5
XLogP	3.7
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	667

SMILES

CC1(COC1)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4

InChI

InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3

InChIKey

DYNHJHQFHQTFTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 670220-88-9

CID: 10366136

Formula: C26H29N5O2

MW: 443.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.5
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	443.23212518
Monoisotopic Mass	443.23212518
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	667
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
007102	Crenolanib

Crenolanib

Chemical Information

Alternative Products

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