Products for Research Use Only

CJ-14897

CAT: 0013-GTR19210579-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210579-01Size:25 mg
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Description
CJ-14897 is the (7R,8S) -stereoisomer, functioning as an inhibitor of cytokine production. This small molecule is utilized in immunological research to study inflammatory pathways and cytokine signaling in both in vitro cellular assays and in vivo experimental models.
CAS Number
377755-95-8
Smiles
[C@H] ([C@@H] (OC (C) =O) C) (O) C=1C=CC (C (OC) =O) =NC1
Molecular Formula
C12H15NO5
Molecular Weight
253.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Pyridinecarboxylic acid, 5-((1S,2S)-2-(acetyloxy)-1-hydroxypropyl)-, methyl ester

CJ-14,897 is a pyrimidinecarboxylic acid.

CAS Number377755-95-8
PubChem CID10198925
IUPAC Namemethyl 5-[(1S,2S)-2-acetyloxy-1-hydroxypropyl]pyridine-2-carboxylate
Molecular FormulaC12H15NO5
Molecular Weight253.25
XLogP0.5
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity307
SMILES
C[C@@H]([C@H](C1=CN=C(C=C1)C(=O)OC)O)OC(=O)C
InChI
InChI=1S/C12H15NO5/c1-7(18-8(2)14)11(15)9-4-5-10(13-6-9)12(16)17-3/h4-7,11,15H,1-3H3/t7-,11+/m0/s1
InChIKey
CTJGPKROOIGCCC-WRWORJQWSA-N
Chemical Structure
2D Structure
2D structure of 2-Pyridinecarboxylic acid, 5-((1S,2S)-2-(acetyloxy)-1-hydroxypropyl)-, methyl ester
CAS: 377755-95-8
CID: 10198925
Formula: C12H15NO5
MW: 253.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight253.25
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass253.09502258
Monoisotopic Mass253.09502258
Topological Polar Surface Area85.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity307
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