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JAK1-IN-B61

CAT: 0013-GTR19208966-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208966-01Size:25 mg
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Description
JAK1-IN-B61 is a potent and selective small molecule inhibitor of Janus kinase 1 (JAK1) . It is a valuable research tool for investigating JAK-STAT signaling pathways in both cellular and animal models of autoimmune diseases and hematological cancers.
CAS Number
1360172-78-6
Field of Research
Signal Transduction
Smiles
O=C1OC2 (CCN (C3=C4C (=NC=N3) NC=C4) CCC2) CN1
Molecular Formula
C14H17N5O2
Molecular Weight
287.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jak1-IN-B61
CAS Number1360172-78-6
PubChem CID56911597
IUPAC Name9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
Molecular FormulaC14H17N5O2
Molecular Weight287.32
XLogP1.3
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity420
SMILES
C1CC2(CCN(C1)C3=NC=NC4=C3C=CN4)CNC(=O)O2
InChI
InChI=1S/C14H17N5O2/c20-13-16-8-14(21-13)3-1-6-19(7-4-14)12-10-2-5-15-11(10)17-9-18-12/h2,5,9H,1,3-4,6-8H2,(H,16,20)(H,15,17,18)
InChIKey
BPZOLBHRVSPUMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jak1-IN-B61
CAS: 1360172-78-6
CID: 56911597
Formula: C14H17N5O2
MW: 287.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.32
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass287.13822480
Monoisotopic Mass287.13822480
Topological Polar Surface Area83.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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