Basic information
- CAS
868623-40-9- Standard SMILES
CC(C)(C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1- InChIKey
CLHMYBJIOZXCEX-UHFFFAOYSA-N- Molecular formula
- C25H34F3N5O2
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.26645983
Overview
ABT-384 has been used in trials studying the treatment of Alzheimer's Disease.
Names & identifiers
- Preferred name
- 4-[[2-Methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamide
- IUPAC
- 4-[[2-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamide
- English name
- 1-Piperazineacetamide, N-[5-(aminocarbonyl)tricyclo[3.3.1.13,7]dec-2-yl]-α,α-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]-, stereoisomer
- Molecular formula
- C25H34F3N5O2
- Molecular weight
- 493.57
Names & synonyms
ABT-384868623-40-94-[[2-methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamideCHEMBL222670ABT 384R5TH77F919SCHEMBL231595UNII-R5TH77F919ABT384GTPL7357orb3027352CHEMBL4297256
Show more names
1-Piperazineacetamide, N-[5-(aminocarbonyl)tricyclo[3.3.1.13,7]dec-2-yl]-α,α-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]-, stereoisomer
SCHEMBL20457214SCHEMBL26851540C25H34F3N5O2CLHMYBJIOZXCEX-MALZWFGSSA-NCLHMYBJIOZXCEX-UHFFFAOYSA-NEX-A5528BDBM50195291DB12501
Database identifiers
- CAS
868623-40-9- PubChem CID
- 11670435
- ChEMBL
CHEMBL222670- UNII
- R5TH77F919
- Nikkaji
- J3.339.739I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 825
Physicochemical properties
- Boiling point
- 689.3 · 689.3±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- 0 · DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
- pka
- 16.76 · 16.76±0.40(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 5 TH77F919 · R5TH77F919
Chemistry & industry
Applications
UsesABT-384 is a potent, selective 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor. ABT-384 exhibits high affinity (Ki 0.1-2.7 nM) against rodent, monkey, and human 11β-HSD1. ABT-384 blocks regeneration of active cortisol. ABT-384 can be used for the research of Alzheimer’s disease (AD)[1][2].
Suppliers9 total
銳迪國際科技有限公司18024082417 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
武汉永璨生物科技有限公司+86-027-6552-2453 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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