HM43239

CAT: 0127-BUP03407-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03407-01Size:5 mg

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CAS Number

2294874-49-8

Synonyms

Tuspetinib

Purity

=98%

Smiles

C[C@H]1CN(Cc2cc(Nc3ncc(Cl)c(n3)-c3c[nH]c4cc(C)ccc34)cc(c2)C2CC2)C[C@@H](C)N1

Chemical Information

Tuspetinib

Tuspetinib (HM-43239) is under investigation in clinical trial NCT03850574 (Clinical Trial to Evaluate the Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of HM43239 in Patients With Relapsed or Refractory Acute Myeloid Leukemia).

CAS Number	2294874-49-8
PubChem CID	135390910
IUPAC Name	5-chloro-N-[3-cyclopropyl-5-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine
Molecular Formula	C29H33ClN6
Molecular Weight	501.1
XLogP	5.8
Topological Polar Surface Area	68.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	725

SMILES

C[C@@H]1CN(C[C@@H](N1)C)CC2=CC(=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=C4C=CC(=C5)C)Cl)C6CC6

InChI

InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+

InChIKey

FZLSDZZNPXXBBB-KDURUIRLSA-N

Chemical Structure

2D Structure

CAS: 2294874-49-8

CID: 135390910

Formula: C29H33ClN6

MW: 501.1

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	501.1
XLogP3	5.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	500.2455228
Monoisotopic Mass	500.2455228
Topological Polar Surface Area	68.9 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	725
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
MBS3617202-01	HM43239
M37626-01	HM43239 B

HM43239

Chemical Information

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