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Gusacitinib

CAT: 0926-AHC38160-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-AHC38160-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1425381-60-7
Smiles
C1CN (CCC1CC#N) C2=NC3=C (C (=O) NN=C3) C (=N2) NC4=CC=C (C=C4) N5CCC (CC5) O
Molecular Formula
C24H28N8O2
Molecular Weight
460.53 g/mol
Controlled
No

Chemical Information

Gusacitinib

Gusacitinib is under investigation in clinical trial NCT02550678 (A Study of the Efficacy and Safety of ASN-002 in Adult Patients With Low-risk Nodular Basal Cell Carcinoma).

CAS Number1425381-60-7
PubChem CID71269142
IUPAC Name2-[1-[4-[4-(4-hydroxypiperidin-1-yl)anilino]-5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl]piperidin-4-yl]acetonitrile
Molecular FormulaC24H28N8O2
Molecular Weight460.5
XLogP2.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity775
SMILES
C1CN(CCC1CC#N)C2=NC3=C(C(=O)NN=C3)C(=N2)NC4=CC=C(C=C4)N5CCC(CC5)O
InChI
InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)
InChIKey
NLFLXLJXEIUQDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gusacitinib
CAS: 1425381-60-7
CID: 71269142
Formula: C24H28N8O2
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass460.23352217
Monoisotopic Mass460.23352217
Topological Polar Surface Area130 Ų
Heavy Atom Count34
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-103018-01Gusacitinib
HY-103018SGusacitinib-d4
A19883-200Gusacitinib 200mg
A19883-5Gusacitinib 5mg
A19883-1Gusacitinib 1mg
A19883-50Gusacitinib 50mg
A19883-25Gusacitinib 25mg
GTR19210249-01Gusacitinib HCl
A19883-10Gusacitinib 10mg
HY-103018AGusacitinib (hydrochloride)

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