Basic information
- CAS
169675-08-5- Standard SMILES
C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21- InChIKey
XJJZQXUGLLXTHO-ZETCQYMHSA-N- Molecular formula
- C11H12ClFN2
- Average molar mass
- 226.68 g/mol
- Monoisotopic mass
- 226.0673042
Overview
(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine is a 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine that has S configuration. A selective agonist for both the 5-hydroxytryptamine 2B (5-HT2B) and 5-hydroxytryptamine 2C (5-HT2C)serotonin receptor subtypes, commonly used as fumarate salt. It has a role as a 5-hydroxytryptamine 2B receptor agonist and a 5-hydroxytryptamine 2C receptor agonist.
Names & identifiers
- Preferred name
- (S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
- IUPAC
- (2S)-1-(6-chloro-5-fluoroindol-1-yl)propan-2-amine
- English name
- Ro 60-0175
- Molecular formula
- C11H12ClFN2
- Molecular weight
- 226.68
Names & synonyms
Ro60-0175169675-08-5(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amineRo-60-0175Ro-600175CHEMBL76781(2S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine(S)-2-(6-Chloro-5-fluoro-indol-1-yl)-1-methyl-ethylamine(S)-2-(6-chloro-5-fluoroindol-1-yl)-1-methylethylamine1H-Indole-1-ethanamine, 6-chloro-5-fluoro-alpha-methyl-, (alphaS)-Ro60-0175 free baseA74GH2T4WD
Show more names
Ro 60-0175Ro60-0175, 10 mM in DMSO1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-(aS)-6-Chloro-5-fluoro-a-methyl-1H-indole-1-ethanamine monofumarateselective,cocaine,Inhibitor,Ro600175,contextual cues,inhibit,yohimbine,5-hydroxytryptamine Receptor,5-HT2C,Ro60 0175,Ro-60-0175,drug-seeking,self-administration,5-HT Receptor,Serotonin Receptor
GTPL166SCHEMBL255454Ro -60-0175 free baseorb1303569SCHEMBL29368348CHEBI:142183EX-A6809BDBM50144841
Database identifiers
- CAS
169675-08-5- PubChem CID
- 3045227
- ChEMBL
CHEMBL76781- ChEBI
CHEBI:142183- UNII
- A74GH2T4WD
- Nikkaji
- J830.114J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 353.2 · 353.2±32.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 125 mg/mL · DMSO : 125 mg/mL (551.44 mM; Need ultrasonic)
- pka
- 9.58 · 9.58±0.10(Predicted)
- form
- Solid
- color
- White to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesRo60-0175 is a potent and selective agonist of 5-HT2C receptor. Ro60-0175 reduces self-administration[1].
Suppliers25 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海碧咸医药科技有限公司13816613772 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
上海禹犇生物科技有限公司021-61350663 15502154572 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [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]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: (2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine is a 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine that has S configuration. A selective agonist for both the 5-hydroxytryptamine 2B (5-HT2B) and 5-hydroxytryptamine 2C (5-HT2C)serotonin receptor subtypes, commonly used as fumarate salt. It has a role as a 5-hydroxytryptamine 2B receptor agonist and a 5-hydroxytryptamine 2C receptor agonist.
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Compound notes
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