Products for Research Use Only
RegisterLogin

2-ATHBI

CAT: 0013-GTR19154728-03Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19154728-03Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
2-ATHBI is a S1P lyase inhibitor.
CAS Number
94944-70-4
Purity
>98% (HPLC)
Solubility
DMSO:Soluble
Smiles
CC (=O) C1=NC=C (N1) [C@H] ([C@@H] ([C@@H] (CO) O) O) O
Molecular Formula
C9H14N2O5
Molecular Weight
230.22
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1-(5-((1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone

2-acetyl-4(5)-tetrahydroxybutyl imidazole is an organic molecular entity. It has a role as an immunosuppressive agent and an EC 4.1.2.27 (sphinganine-1-phosphate aldolase) inhibitor.

CAS Number94944-70-4
PubChem CID108037
IUPAC Name1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone
Molecular FormulaC9H14N2O5
Molecular Weight230.22
XLogP-2.7
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity250
SMILES
CC(=O)C1=NC=C(N1)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
InChIKey
CQSIXFHVGKMLGQ-BWZBUEFSSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-((1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone
CAS: 94944-70-4
CID: 108037
Formula: C9H14N2O5
MW: 230.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.22
XLogP3-2.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass230.09027155
Monoisotopic Mass230.09027155
Topological Polar Surface Area127 Ų
Heavy Atom Count16
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR17948478ATHB-53 Antibody
GTR17948256ATHB-13 Antibody
GTR17948105ATHB-9 Antibody
GTR17947956ATHB-17 Antibody
GTR17948389ATHB-15 Antibody
GTR17948347ATHB-54 Antibody
GTR17948345ATHB-23 Antibody
GTR17948344ATHB-21 Antibody
GTR17948691ATHB-8 Antibody
GTR17948416ATHB-5 Antibody

Alternative Products

CatalogName
T19778-012-ATHBI
PC1003049-012,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-0012'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-012,2,2,2'-Tetrafluoroacetophenone
OR1009873-012,2,2,2-Ethylenedinitrilotetraethanol
290342-012,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
D3554-34-012’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)
MBS6114780-012',2'-Difluoro-2'-deoxyuridine (2'-Deoxy-2',2'-difluorouridine)

Popular Products