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MDL 201112

CAT: 0013-GTR19279685-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279685-01Size:50 mg
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Description
MDL 201112 is a carbocyclic nucleoside that reduces the production of TNF-α and inhibits the expression of MHCII class Ia+ antigens. It is applicable in research related to inflammation and immunology.
CAS Number
142130-73-2
Smiles
NC1=C2C (N (C=N2) [C@@H]3C[C@H] (O) CC3) =NC=N1
Molecular Formula
C10H13N5O
Molecular Weight
219.25
Notes
For research use only.

Chemical Information

Mdl-201112

structure given in first source; a synthetic carbocyclic adenosine analog; RN given refers to (1R-cis)-isomer

CAS Number142130-73-2
PubChem CID132408
IUPAC Namecis-(1R,3S)-3-(6-aminopurin-9-yl)cyclopentan-1-ol
Molecular FormulaC10H13N5O
Molecular Weight219.24
XLogP0.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity264
SMILES
C1C[C@H](C[C@H]1N2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C10H13N5O/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-2-7(16)3-6/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKey
UZNXSBPBWFLVDK-NKWVEPMBSA-N
Chemical Structure
2D Structure
2D structure of Mdl-201112
CAS: 142130-73-2
CID: 132408
Formula: C10H13N5O
MW: 219.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.24
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass219.11201006
Monoisotopic Mass219.11201006
Topological Polar Surface Area89.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity264
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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CatalogName
HY-105488MDL 201112

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