홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

Rimonabant

HCID 104850
노트반응

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
158681-13-1
표준 SMILES
Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIKey
JZCPYUJPEARBJL-UHFFFAOYSA-N
분자식
C22H21Cl3N4O
평균 분자량
463.8 g/mol
단동위원소 질량
462.078094

이름 및 식별자

우선 이름
Rimonabant
IUPAC
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
영어명
Rimonabant
분자식
C22H21Cl3N4O
분자량
463.79

이름 및 동의어

Rimonabant168273-06-1AcompliaZimulti5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamideSR141716SR 141716SR-141716ASR-141716A 2815-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamideDTXSID3046453
이름 더 보기
xibuqumrimobrantRimonabanLimonabantrimonabantxUnii-rml78en3xe
RML78EN3XESR-141715-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamideDTXCID1026453CHEBI:349671H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-rimonabantumRefChem:389265

데이터베이스 식별자

CAS
158681-13-1、168273-06-1
PubChem CID
104850
DTXSID
DTXSID3046453
ChEMBL
CHEMBL111
ChEBI
CHEBI:34967
UNII
RML78EN3XE
EC Number
685-399-5
Nikkaji
J649.754C

물성

구조 계산 물성보충 중

XLogP
6.5
극성 표면적
50.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
30
형식 전하
0
복잡도
583

실험 및 물리화학적 성질

Solubility2.00e-03 g/L
Physical DescriptionSolid

물리화학적 성질

녹는점
154.7 °C · 154.7 °C
밀도
1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건
RT
용해도
DMSO(최대 20mg/ml) 또는 에탄올(최대 20mg/ml)에 용해됩니다.
산도 계수 (pKa)
11.31 · 11.31±0.20(Predicted)
물리적 상태
고체
색상
하얀색
안정성
1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. 습기로부터 보호하십시오. DMSO 또는 에탄올 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
InChI
InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKey
JZCPYUJPEARBJL-UHFFFAOYSA-N
SMILES
N1(C2=CC=C(Cl)C=C2Cl)C(C2=CC=C(Cl)C=C2)=C(C)C(C(NN2CCCCC2)=O)=N1

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

Danger

H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H371 (50%): May cause damage to organs [Warning Specific target organ toxicity, single exposure];H372 (50%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure];H373 (50%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P260, P264, P270, P273, P280, P308+P316, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesRepr. 2 (50%);STOT SE 2 (50%);STOT RE 1 (50%);STOT RE 2 (50%);Aquatic Chronic 1 (50%)

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H372

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism;A08 - Antiobesity preparations, excl. diet products;A08A - Antiobesity preparations, excl. diet products;A08AX - Other antiobesity drugs;A08AX01 - Rimonabant

QA - Alimentary tract and metabolism;QA08 - Antiobesity preparations, excl. diet products;QA08A - Antiobesity preparations, excl. diet products;QA08AX - Other antiobesity drugs;QA08AX01 - Rimonabant

Protein BindingAlmost 100%
Pharmacodynamics · 1건

In the RIO-North America trial, 3040 patients were randomized to receive either placebo or one of two doses of rimonabant (5 mg or 20 mg per day). Patients taking 20 mg rimonabant had significant weigh loss, decrease in waist circumference, improved insulin sensitivity, and increases in HDL cholesterol, compared to patients on placebo.

Mechanism of Action · 1건

Rimonabant is a specific CB1 cannabinoid receptor antagonist. There is considerable evidence that the endocannabinoid (endogenous cannabinoid) system plays a significant role in appetitive drive and associated behaviours. It is therefore reasonable to hypothesize that the attenuation of the activity of this system would have therapeutic benefit in treating disorders that might have a component of excess appetitive drive or over-activity of the endocannabinoid system, such as obesity, ethanol and other drug abuse, and a variety of central nervous system and other disorders.

Biological Half-Life6 to 9 days with normal BMI and 16 days if BMI is greater than 30
Metabolism/MetabolitesHepatic, CYP3A4 involved.
MeSH Pharmacological Classification · 2건

Agents that increase energy expenditure and weight loss by neural and metabolic regulation.

Compounds that inhibit or block the activity of CANNABINOID RECEPTORS.

Absorption, Distribution and Excretion

관련 반응

5건
반응 기록 만들기
HRID 55361 반응식
HRID 55361반응물로uspto-grants-1997_04
HRID 55362 반응식
HRID 55362반응물로uspto-grants-1997_04
HRID 55363 반응식
HRID 55363반응물로uspto-grants-1997_04
HRID 55365 반응식
HRID 55365반응물로uspto-grants-1997_04
HRID 55366 반응식
HRID 55366반응물로uspto-grants-1997_04

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Undetermined
Cellular LocationsMembrane
응용 분야 · 2건

개요Rimonabant is a first-in-class drug launched as an oral treatment for obesity, and its mechanism of action involves the selective antagonism of cannabinoid type 1 (CB1) receptor. It is specifically indicated as an adjunct to diet and exercise for the treatment of obese patients (body mass index [BMI]≥30 kg/m2), or overweight patients (BMI>27 kg/m2) with associated risk factors such as type 2 diabetes or dyslipidemia. Additionally, rimonabant is currently under development as a treatment for nicotine dependence. The CB1 and CB2 receptors, along with their endogenous ligands, constitute the endocannabinoid system. The CB1 receptor is expressed in the brain, adipose tissue, and several peripheral organs; the CB2 receptor is predominantly expressed in immune cells. Activation of the CB1 receptor in the CNS is associated with appetite stimulation and the modulation of brain reward mechanism, whereas activation in the periphery favors metabolic processes that lead to hepatic lipogenesis and impaired glucose homeostasis. Rimonabant acts by selectively blocking the action of central and peripheral CB1 receptors, thereby reducing food intake and improving lipid and glucose metabolism.

용도Rimonabant is a selective antagonist of CB1 with IC50 of 13.6 nM and EC50 of 17.3 nM in hCB1 transfected HEK 293 membrane

공급사100 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
广州市鸿胤生物科技有限公司13779362612 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
广州蒂嚎医药科技有限公司18602015453 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
广州市亿邦医药科技有限公司+86 (20) 28996708,29078958,28139708,29076128,28133708,28139728,28139738,28133718,021-31663278,021-31663578,021-60538387
Cangzhou Wanyou New Material Technology Co.,Ltd18631714998 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
南京诺利斯医药科技有限公司13901585132 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
南京克迪特贸易有限公司025-52164950 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
广州市慈铭生物科技有限公司020-38082199,29065168,38082986,29878298,29866629,4000192398
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
石家庄通洋进出口有限公司[email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
成都凯泰创医药科技有限公司16608035117 · [email protected]
西安天广源生物科技有限公司+86-029-86333380 +86-18829239519 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]