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D-α-Methyl DOPA

CAT: 0013-GTR19273792-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273792-02Size:50 mg
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Description
D-α-Methyl DOPA is an inhibitor of DQ8 peptide binding to MHC class II molecules. By occupying a binding site in the DQ8 peptide groove, D-α-Methyl DOPA prevents the DQ8 peptide from associating with MHCII molecules. This action blocks presentation to CD4+ T cells, thereby slowing or hindering the onset or progression of type 1 diabetes or celiac disease.
CAS Number
2799-15-7
Smiles
C ([C@@] (C (O) =O) (C) N) C1=CC (O) =C (O) C=C1
Molecular Formula
C10H13NO4
Molecular Weight
211.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyldopa, D-
CAS Number2799-15-7
PubChem CID721860
IUPAC Name(2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
Molecular FormulaC10H13NO4
Molecular Weight211.21
XLogP-1.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity246
SMILES
C[C@@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N
InChI
InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m1/s1
InChIKey
CJCSPKMFHVPWAR-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Methyldopa, D-
CAS: 2799-15-7
CID: 721860
Formula: C10H13NO4
MW: 211.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.21
XLogP3-1.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass211.08445790
Monoisotopic Mass211.08445790
Topological Polar Surface Area104 Ų
Heavy Atom Count15
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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