Boceprevir InterMediates
![Boceprevir InterMediates Structure](CAS/GIF/565456-77-1.gif)
- CAS No.
- 565456-77-1
- Chemical Name:
- Boceprevir InterMediates
- Synonyms
- Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride;(1R,2S,5S)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride;(1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE;(1R,2S,5S)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;(1R,2S,5S)—6,6-DiMethyl-3-aza-bicylo[3.1.0]hexane-2-carboxylic acid Methyl ester hydrochloride;tert-butyl ((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)carbamate;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride;Boceprevir INT 1;Paxlovid Impurity 2
- CBNumber:
- CB12466508
- Molecular Formula:
- C9H16ClNO2
- Molecular Weight:
- 205.68
- MOL File:
- 565456-77-1.mol
- Modify Date:
- 2024/6/12 17:09:27
storage temp. | Inert atmosphere,Room Temperature |
---|---|
form | solid |
color | Pale yellow |
InChI | InChI=1/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H/t5-,6-,7-;/s3 |
InChIKey | FKVUDBWXNAFSPB-AUBOPKACNA-N |
SMILES | C([C@H]1NC[C@@H]2C(C)(C)[C@H]12)(=O)OC.Cl |&1:1,4,8,r| |
SAFETY
Risk and Safety Statements
Symbol(GHS) | ![]() GHS07 |
---|---|
Signal word | Warning |
Hazard statements | H302-H332-H335-H319-H315 |
Precautionary statements | P261-P305+P351+P338 |
HS Code | 2933998090 |
Boceprevir InterMediates Chemical Properties,Uses,Production
Uses
(1S,2S,5R)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride is an azabicyclohexane derivative used in the preparation of hepatitis C virus (HCV) NS3 serine protease inhibitor.
General Description
Boceprevir is a peptidomimetic protease inhibitor with four moieties, P1–P3 and a Cap, where P1 is a racemic β-aminoamide, P2 is a chiral dimethylcyclopropylproline analog, P3 is (S)-tert-leucine, and Cap is a tert-butylcarbamoyl group. The 3-azabicyclo[3.1.0]hexane structure of P2 adopts a constrained conformation, so that the gem-dimethyl group has a fixed angle with respect to the bicyclic ring structure. The incorporation of the 3-azabicyclo[3.1.0]hexane moiety results in a 1000-fold increase in NS3 protease binding over proline in a pentapeptide scaffold. When boceprevir binds to the NS3 protease, the P2 moiety interacts with four amino acid residues at the active site. The starting material for the P2 moiety is the HCl salt of the dimethylcyclopropylproline methyl ester 2. For medicinal chemistry studies, it was prepared by cyclopropanation of a Δ3-pyrroline derivative of pyroglutamic acid.
Boceprevir InterMediates Preparation Products And Raw materials
Raw materials
Preparation Products
Supplier | Tel | Country | ProdList | Advantage | Inquiry |
---|---|---|---|---|---|
BTC pharm India | +918790379245 | AndhraPradesh, India | 1269 | 58 | Inquiry |
VIGINE BIOSCIENCES | +918897304741 | Hyderabad, India | 48 | 58 | Inquiry |
REAX CHEMICALS | +91-9347443900 +91-9347443900 | Hyderabad, India | 169 | 58 | Inquiry |
NSJ Prayog Life Sciences Private Limited | +91-6281747900 +91-6281747900 | Hyderabad, India | 76 | 58 | Inquiry |
Synaptics Labs Private Limited | +91-8341963666 +91-8341963666 | Hyderabad, India | 84 | 58 | Inquiry |
Zenfold Sustainable Technologies (ZST) | +91-9945888778 +91-9945888778 | Karnataka, India | 32 | 58 | Inquiry |
CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
Chiral Biosciences Limited | 09441920381 | Mallapur, India | 41 | 58 | Inquiry |
weifang runzhong fine chemical co., ltd | 536-7868377 +8618653686003 | China | 187 | 58 | Inquiry |
Shanghai QiXin New Materials Technology Co.,Ltd | +8615116235351 | China | 16 | 58 | Inquiry |
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