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SRT3190

CAT: 0607-A3839-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3839-50Size:50 mg
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Description
CXCR2 ligand,SIRT1 activator
CAS Number
1204707-73-2
Product Name Alternative
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
Sequence
SRT 3190;SRT-3190
Field of Research
GPCR G protein CXCR
Purity
0.9956
Form
A solid
Solubility
≥47.6 mg/mL in DMSO; insoluble in H2O; ≥99.4 mg/mL in EtOH with ultrasonic
Smiles
CC(C(CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3
Molecular Formula
C18H23F2N5O4S2
Molecular Weight
475.54
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
CAS Number1204707-73-2
PubChem CID59149652
IUPAC NameN-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
Molecular FormulaC18H23F2N5O4S2
Molecular Weight475.5
XLogP2.1
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity670
SMILES
C[C@@H]([C@H](CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3
InChI
InChI=1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3,(H2,21,22,23,24)/t11-,14-/m0/s1
InChIKey
QVKPEMXUBULFBM-FZMZJTMJSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
CAS: 1204707-73-2
CID: 59149652
Formula: C18H23F2N5O4S2
MW: 475.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.5
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass475.11595290
Monoisotopic Mass475.11595290
Topological Polar Surface Area161 Ų
Heavy Atom Count31
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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