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Cerdulatinib (PRT062070)

CAT: 0607-B8023-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B8023-50Size:50 mg
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Description
Syk/JAK inhibitor
CAS Number
1198300-79-6
Product Name Alternative
4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide
Field of Research
Chromatin Epigenetics JAK
Purity
0.9809
Form
A solid
Solubility
≥22.3 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
Smiles
NC(C1=CN=C(NC2=CC=C(N3CCN(S(=O)(CC)=O)CC3)C=C2)N=C1NC4CC4)=O
Molecular Formula
C20H27N7O3S
Molecular Weight
445.54
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Cerdulatinib

Cerdulatinib is under investigation in clinical trial NCT04021082 (CELTIC-1: A Phase 2B Study of Cerdulatinib in Patients With Relapsed/refractory Peripheral T-cell Lymphoma (PTCL)).

CAS Number1198300-79-6
PubChem CID44595079
IUPAC Name4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
Molecular FormulaC20H27N7O3S
Molecular Weight445.5
XLogP1.9
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N
InChI
InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)
InChIKey
BGLPECHZZQDNCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cerdulatinib
CAS: 1198300-79-6
CID: 44595079
Formula: C20H27N7O3S
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass445.18960892
Monoisotopic Mass445.18960892
Topological Polar Surface Area142 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
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

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