167144-79-8

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• Basic information

  1. Product Name: (3R,5R)-5-[2-[2-[2-(3-METHOXYPHENYL)ETHYL]PHENOXY]ETHYL]-1-METHYL-3-PYRROLIDINOL HYDROCHLORIDE
  2. Synonyms: R-96544 HYDROCHLORIDE;(3R,5R)-5-[2-[2-[2-(3-METHOXYPHENYL)ETHYL]PHENOXY]ETHYL]-1-METHYL-3-PYRROLIDINOL HYDROCHLORIDE;(2R,4R)-5-(2-(2-(2-(3-Methoxyphenyl)ethyl)phenoxy)ethyl)-1-methyl-3-pyrrolidinolhydrochloride;R-96544HCl;(3R,5R)-5-(2-(2-(3-methoxyphenethyl)phenoxy)ethyl)-1-methylpyrrolidin-3-ol
  3. CAS NO:167144-79-8
  4. Molecular Formula: C₂₂H₂₉NO₃
  5. Molecular Weight: 391.93
  6. EINECS: N/A
  7. Product Categories: Serotonin receptor
  8. Mol File: 167144-79-8.mol
  9. Article Data: 3

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 484.5°Cat760mmHg
  3. Flash Point: 246.8°C
  4. Appearance: /
  5. Density: g/cm³
  6. Vapor Pressure: 3.35E-10mmHg at 25°C
  7. Refractive Index: N/A
  8. Storage Temp.: Store at RT
  9. Solubility: N/A
  10. CAS DataBase Reference: (3R,5R)-5-[2-[2-[2-(3-METHOXYPHENYL)ETHYL]PHENOXY]ETHYL]-1-METHYL-3-PYRROLIDINOL HYDROCHLORIDE(CAS DataBase Reference)
  11. NIST Chemistry Reference: (3R,5R)-5-[2-[2-[2-(3-METHOXYPHENYL)ETHYL]PHENOXY]ETHYL]-1-METHYL-3-PYRROLIDINOL HYDROCHLORIDE(167144-79-8)
  12. EPA Substance Registry System: (3R,5R)-5-[2-[2-[2-(3-METHOXYPHENYL)ETHYL]PHENOXY]ETHYL]-1-METHYL-3-PYRROLIDINOL HYDROCHLORIDE(167144-79-8)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 167144-79-8(Hazardous Substances Data)

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• R-96544 hydrochloride

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• Dayang Chem (Hangzhou) Co.,Ltd.
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• (3R,5R)-5-[2-[2-[2-(3-METHOXYPHENYL)ETHYL]PHENOXY]ETHYL]-1-METHYL-3-PYRROLIDINOL HYDROCHLORIDE

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• R-96544 hydrochloride;(2R,4R)-5-[2-[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]ethyl]-1-Methyl-3-pyrrolidinolhydrochloride

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• Wuxi Morality Chemical Co., Ltd
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• (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine

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• (3R,5R)-5-[2-[2-[2-(3-METHOXYPHENYL)ETHYL]PHENOXY]ETHYL]-1-METHYL-3-PYRROLIDINOL HYDROCHLORIDE

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167144-79-8 Usage

Uses

R-96544 Hydrochloride is a the active form of a novel 5-HT2A receptor antagonist R-102444. It inhibits the platelet aggregation induced by serotonin (5-hydroxytryptamine, 5-HT).

Biological Activity

Potent, selective 5-HT 2 receptor antagonist; displays some selectivity for 5-HT 2A receptors (K i = 1.6 nM). IC 50 values are 2.2, 310, 2400, 3700, > 5000 and > 5000 nM for 5-HT 2 , a 1 -adrenergic, D 2 dopamine, 5-HT 1 , 5-HT 3 and b-adrenergic receptors respectively. Inhibits 5-HT-induced platelet aggregation and pressor responses in vivo .

Check Digit Verification of cas no

The CAS Registry Mumber 167144-79-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,7,1,4 and 4 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 167144-79:
(8*1)+(7*6)+(6*7)+(5*1)+(4*4)+(3*4)+(2*7)+(1*9)=148
148 % 10 = 8
So 167144-79-8 is a valid CAS Registry Number.

InChI:InChI=1/C22H29NO3.ClH/c1-23-16-20(24)15-19(23)12-13-26-22-9-4-3-7-18(22)11-10-17-6-5-8-21(14-17)25-2;/h3-9,14,19-20,24H,10-13,15-16H2,1-2H3;1H/t19-,20-;/m1./s1

167144-79-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name	(2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine

1.2 Other means of identification

Product number	-
Other names	-

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:167144-79-8 SDS

167144-79-8Upstream product

• 167145-83-7 (2R,4R)-4-benzyloxy-1-ethoxycarbonyl-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine 
• 191092-15-6 (2R,4R)-4-benzyloxy-1-ethoxycarbonyl-2-[2-(p-toluenesulfonyloxy)ethyl]pyrrolidine 
• 318511-15-8 (2S,4R)-4-benzyloxy-1-ethoxycarbonyl-2-(ethoxycarbonylmethyl)pyrrolidine 
• 318511-16-9 (2R,4R)-4-benzyloxy-1-ethoxycarbonyl-2-(2-hydroxyethyl)pyrrolidine 
• 167145-84-8 (2R,4R)-1-ethoxycarbonyl-4-hydroxy-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine 

167144-79-8Downstream Products

167144-79-8Relevant articles and documents

[2-(O-Phenylalkyl)phenoxy]alkylamines III: Synthesis and selective serotonin-2 receptor binding (2).

Tanaka,Goto,Ito,Hayakawa,Sugidachi,Ogawa,Asai,Fujimoto

, p. 1729 - 1739 (2007/10/03)

A series of 12-(2-phenylethyl)phenoxy]ethylpyrrolidine derivatives were synthesized, and their affinity for serotonin-2 (5-HT2) and dopamine-2 (D2) receptors was examined. Among them, compound 17, (2R,4R)-4-hydroxy-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxylethyl] -1-methylpyrrolidine hydrochloride, showed high 5-HT2 receptor affinity in vitro. This compound was a more potent inhibitor of ex vivo 5-HT-induced platelet aggregation than compound 3, which was previously shown to be more potent than ketanserin (1) and sarpogrelate (2a). However, compound 17 produced gastric irritation in rats. Therefore, we carried out a further derivatization of 17, and compound 45 (R-102444), a lauryl ester prodrug of compound 17, was found to be a promising candidate as an antithrombotic agent. Oral administration of R-102444 produced a marked inhibition of 5-HT-induced ex vivo platelet aggregation, and R-102444 did not cause any gastric irritation. The antiaggregatory effects of R-102444 were more potent than those of sarpogrelate (2a) and its active metabolite, M-1 (2b). In addition, R-102444 exhibited more potent antithrombotic effects than sarpogrelate in a rat photochemically-induced thrombosis model.

ALPHA-OMEGA-DIARYLALKANE COMPOUNDS SEROTONIN-2 RECEPTOR AGONISTS

-

, (2008/06/13)

Compounds of formula (I): STR1 [wherein: R 1 is aryl; R 2 is hydrogen, alkyl, alkoxy, halogen or cyano; R 3 is a group of formula--B--NR 4 R 5, where R 4 and R 5 are independently hydrogen, alkyl or substituted alkyl or R 4 and R 5, together with the nitr

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