Boceprevir InterMediates

565456-77-1

CAS-Nr.: 565456-77-1

Englisch Name:: Boceprevir InterMediates

Synonyma:: 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

Summenformel:: C9H16ClNO2

Molgewicht:: 205.68

MOL-Datei:: 565456-77-1.mol

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Eigenschaften Sicherheit Verwendungswort Produktionsfirma 330

Boceprevir InterMediates Eigenschaften

storage temp.: Inert atmosphere,Room Temperature

Aggregatzustand: solid

Farbe: 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|

Sicherheit

Risiko- und Sicherheitserklärung
Gefahreninformationscode (GHS)

HS Code	2933998090

Bildanzeige (GHS)

Alarmwort

Warnung

Gefahrenhinweise

Code	Gefahrenhinweise	Gefahrenklasse	Abteilung	Alarmwort	Symbol	P-Code
H302	Gesundheitsschädlich bei Verschlucken.	Akute Toxizität oral	Kategorie 4	Warnung	src="/GHS07.jpg" width="20" height="20" />	P264, P270, P301+P312, P330, P501
H315	Verursacht Hautreizungen.	Hautreizung	Kategorie 2	Warnung	src="/GHS07.jpg" width="20" height="20" />	P264, P280, P302+P352, P321,P332+P313, P362
H319	Verursacht schwere Augenreizung.	Schwere Augenreizung	Kategorie 2	Warnung	src="/GHS07.jpg" width="20" height="20" />	P264, P280, P305+P351+P338,P337+P313P
H332	Gesundheitsschädlich bei Einatmen.	Akute Toxizität inhalativ	Kategorie 4	Warnung	src="/GHS07.jpg" width="20" height="20" />	P261, P271, P304+P340, P312
H335	Kann die Atemwege reizen.	Spezifische Zielorgan-Toxizität (einmalige Exposition)	Kategorie 3 (Atemwegsreizung)	Warnung	src="/GHS07.jpg" width="20" height="20" />

Sicherheit

P261	Einatmen von Staub vermeiden.
P305+P351+P338	BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach Möglichkeit entfernen. Weiter spülen.

Boceprevir InterMediates Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden

(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.

Allgemeine Beschreibung

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 Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte

Boceprevir InterMediates Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

Global( 330)Lieferanten

Firmenname	Telefon	E-Mail	Land	Produktkatalog	Edge Rate
weifang runzhong fine chemical co., ltd	536-7868377 +8618653686003	sq@runzhongchem.com	China	187	58
Shanghai QiXin New Materials Technology Co.,Ltd	+8615116235351	derrickguo@sh-qixin.cn	China	16	58
Wuhan Topule Biopharmaceutical Co., Ltd	+8618327326525	masar@topule.com	China	8474	58
Aceschem Inc.	+1-817863-6948 +1-（817）863-6948	sales@aceschem.com	United States	19639	58
Hebei Yanxi Chemical Co., Ltd.	+8617531190177	peter@yan-xi.com	China	5993	58
Hangzhou ICH Biofarm Co., Ltd	+undefined8613073685410	sales@ichemie.com	China	985	58
Anhui Ruihan Technology Co., Ltd	+8617756083858	daisy@anhuiruihan.com	China	994	58
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21691	55
Hangzhou FandaChem Co.,Ltd.	008657128800458; +8615858145714	fandachem@gmail.com	China	9348	55

Boceprevir InterMediates
(1S,2S,5R)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-diMethyl-, Methyl ester, hydrochloride, (1R,2S,5S)-
3-Azabicyclo[3.1.0]hexane-2-carboxylicacid,6,6-diMethyl-,Methylester,hydrochloride(1:1),(1R,2S,5S)-
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid methyl ester HCl
1.3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester, hydrochloride(1R,2S,5S)
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate acid Methyl ester hydrochloridee
(1R,2S,5S)-methyl 6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-...
(1R,2S,5S)-methyl 6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylate hydrochlorid
(1R,2S,5S)-Methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate HCl
PF-07321332-002
Paxlovid Int.
(1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORID
PF-07321332 intermediate
6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
5S)-6
(1R,2S,5S)—6,6-DiMethyl-3-aza-bicylo[3.1.0]hexane-2-carboxylic acid Methyl ester hydrochloride
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
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-diMethyl-, Methyl ester, (Hydrochloride), (1R,2S,5S)- (9CI)
(1R,2S,5S)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Boceprevir INT 1
(1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
Nirmatrelvir Intermediate
Nirmatrelvir intermediate 565456-77-1
Paxlovid Impurity 2
(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride
tert-butyl ((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)carbamate
Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
(1R.28,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2- CARBOXYLICACID METHYL ESTER HYDRoCHLORIDE
Paxlovid Intermediate 2
(1R,2S,5S)-6,6-dimethyl-3-aza-bicylo[3.1]hexane-2-carboxylic acid methyl ester hydrochloride
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester, hydrochloride (1:1), (1R,2S,5S)- (ACI)
Paxlovid Interediate
Intermediate of Boprevir
PF-07321332 Impurity 1
6,6-Dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid methyl ester hydrochloride
Nirmatrelvir Impurity 10 HCl
Methyl (1S,2S,5R)-1,5,6,6-tetramethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Nirmatrelvir Impurity 29 HCl
565456-77-1
Boceprevir intermediate
Chiral Reagents
Heterocycles
Intermediates & Fine Chemicals
Pharmaceuticals
565456-77-1