기본 정보
- CAS
155030-63-0- 표준 SMILES
CC(C)C[C@H]1C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccc(N3CCOCC3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C- InChIKey
ZMQMTKVVAMWKNY-YSXLEBCMSA-N- 분자식
- C60H90N6O14
- 평균 분자량
- 1,119.4 g/mol
- 단동위원소 질량
- 1,118.65150156
개요
Emodepside is a cyclooctadepsipeptide consisting of D-lactoyl, N-methyl-L-leucyl, 3-[4-(4-morpholinyl)phenyl]-D-lactoyl, N-methyl-L-leucyl, D-lactoyl, N-methyl-L-leucyl, 3-[4-(4-morpholinyl)phenyl]-D-lactoyl, and N-methyl-L-leucyl residues joined in sequence to give a 24-membered macrocycle. An anthelmintic, it is used with praziquantel for the treatment and control of hookworm, roundworm and tapeworm infections in cats. It has a role as an antinematodal drug. It is a semisynthetic derivative and a cyclooctadepsipeptide.
이름 및 식별자
- 우선 이름
- Emodepside
- IUPAC
- (3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
- 영어명
- Emodepside
- 분자식
- C60H90N6O14
- 분자량
- 1119.39
이름 및 동의어
Emodepside155030-63-0emodepsidaBay-44-4400emodepsidumBAY 44-4400YZ647Y5GC9PF-1022-221CHEBI:78739DTXSID50165799PROCOX COMPONENT EMODEPSIDEPF 1022-221
이름 더 보기
QHT06EmodeposideEmodepside D8Emodepside - Bio-X ?Emodepside, 10 mM in DMSOCyclo(.alpha.R)-.alpha.-hydroxy-4-(4-morpholinyl)benzeneprop(3S,6R,9S,12R,15S,18R,21S,24R)-3,9,15,21-tetraisobutyl-4,6,10,16,18,22-hexamethyl-12,24-bis(4-morpholinobenzyl)-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octaone
PROFENDER COMPONENT EMODEPSIDECyclo((R)-lactoyl-N-methyl-L-leucyl-(R)-3-(p-morpholinophenyl)lactoyl-N-methyl-L-leucyl-(R)-lactoyl-N-methyl-L-leucyl-(R)-3-(p-morpholinophenyl)lactoyl-N-methyl-L-leucyl)(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis((4-morpholin-4-ylphenyl)methyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octoneCyclo((alphaR)-alpha-hydroxy-4-(4-morpholinyl)benzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl-(alphaR)-alpha-hydroxy-4-(4-morpholinyl)benzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl)Cyclo[(alphaR)-alpha-hydroxy-4-(4-morpholinyl)benzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl-(alphaR)-alpha-hydroxy-4-(4-morpholinyl)benzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl]cyclo[(R)-lactoyl-N-methyl-L-leucyl-(R)-3-(p-morpholinophenyl)lactoyl-N-methyl-L-leucyl-(R)-lactoyl-N-methyl-L-leucyl-(R)-3-(p-morpholinophenyl)lactoyl-N-methyl-L-leucyl]RefChem:57164
데이터베이스 식별자
- CAS
155030-63-0- PubChem CID
- 6918632
- DTXSID
DTXSID50165799- ChEMBL
CHEMBL2104404- ChEBI
CHEBI:78739- UNII
- YZ647Y5GC9
- EC Number
- 604-993-7
- Nikkaji
- J2.466.295K
물성
구조 계산 물성
- XLogP
- 9
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 80
- 형식 전하
- 0
- 복잡도
- 1,900
실험 및 물리화학적 성질
Animal Drugs
Active Ingredients (Emodepside) -> FDA Greenbook
Pharmaceuticals -> UK Veterinary Medicines Directorate List
물리화학적 성질
- 끓는 점
- 1219.3 · 1219.3±65.0 °C(Predicted)
- 밀도
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 31 mg/mL · DMSO : ≥ 31 mg/mL (27.69 mM)
- 산도 계수 (pKa)
- 5.34 · 5.34±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChIKey
- ZMQMTKVVAMWKNY-FYSVEKGBNA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 27 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationEmodepside: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 4 OralRepr. 2STOT RE 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationDrugs used to treat or prevent parasitic infections.
용도 및 제조
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
공급사100 곳
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
江西瑞威尔生物科技有限公司400-880-2824 18107960669 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
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江西瑞威尔生物科技有限公司18502762009 · [email protected]
博瑞生物医药（苏州）股份有限公司0512-0512-62551764 18013103761 · [email protected]
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江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
西安泽邦生物科技有限公司[email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
苏州市申祥医药技术有限公司+86-0512-63001269 15720870325 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
重庆乾泰医药研究院有限公司17864179792 · [email protected]
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武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [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]
湖北威德利化学试剂有限公司18327179646 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
重庆乾泰医药研究院有限公司15862471140 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖南瑞威尔生物科技有限公司19359985961 · [email protected]
湖北魏氏化学试剂股份有限公司13125137732 18686406941 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海德加源生物科技有限公司18301711315 18301711315 · [email protected]
추가 설명
정의ChEBI: A cyclooctadepsipeptide consisting of D-lactoyl, N-methyl-L-leucyl, 3-[4-(4-morpholinyl)phenyl]-D-lactoyl, N-methyl-L-leucyl, D-lact yl, N-methyl-L-leucyl, 3-[4-(4-morpholinyl)phenyl]-D-lactoyl, and N-methyl-L-leucyl residues joined in sequence to give a 24-membered macrocycle. An anthelmintic, it i used with praziquantel for the treatment and control of hookworm, roundworm and tapeworm infections in cats.
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