기본 정보
- CAS
841-67-8- 표준 SMILES
O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1- InChIKey
UEJJHQNACJXSKW-VIFPVBQESA-N- 분자식
- C13H10N2O4
- 평균 분자량
- 258.23 g/mol
- 단동위원소 질량
- 258.0640568
개요
(S)-thalidomide is a 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre. It has a role as a teratogenic agent. It is an enantiomer of a (R)-thalidomide.
이름 및 식별자
- 우선 이름
- (S)-Thalidomide
- IUPAC
- 2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
- 현지명
- (-)-탈리도마이드
- 영어명
- (-)-THALIDOMIDE
- 분자식
- C13H10N2O4
- 분자량
- 258.23
이름 및 동의어
(S)-Thalidomide841-67-8(-)-ThalidomideS-(-)-ThalidomideThalidomide, L-NSC 917302-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dionePhthalimide, N-(2,6-dioxo-3-piperidyl)-, (-)-Phthalimide, N-(2,6-dioxo-3-piperidyl)-, L-(-)-DTXSID1046972CHEBI:619181H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-, (S)-
이름 더 보기
(-)-탈리도마이드(–)-ThalidomideThalidomide (S)-Isomer(S)Thalidomide,(S) Thalidomide6-dioxo-3-piperidyl)-n-(l-(-)-phthalimidN-[(S)-2,6-Dioxopiperidine-3-yl]phthalimide(-)-THALIDOMIDE >98% INHIBITOR OF ANGIOG EN(-)-N-[(S)-2,6-Dioxo-3-piperidinyl]phthalimide
2-((3S)-2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dioneRefChem:408251DTXCID9026972635-910-2(S)-(-)-thalidomidel-ThalidomideS-Thalidomide(S)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
데이터베이스 식별자
- CAS
841-67-8- PubChem CID
- 92142
- DTXSID
DTXSID1046972- ChEMBL
CHEMBL426123- ChEBI
CHEBI:61918- UNII
- TG87FSR590
- EC Number
- 635-910-2
- Nikkaji
- J53.847G
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 449
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 269 · 269-271°C
- 끓는 점
- 401.48 °C · 401.48°C (rough estimate)
- 밀도
- 1.2944 · 1.2944 (rough estimate)
- 굴절률
- 1.53 · 1.5300 (estimate)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO: 용해될 수 있다
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.7 · 10.70±0.40(Predicted)
- 색상
- 하얀색
- InChI
- InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
- InChIKey
- UEJJHQNACJXSKW-VIFPVBQESA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(=O)N1[C@H]1CCC(=O)NC1=O
화학적 성질
Needles
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- TI4925050
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 61-22
- hazard_code
- T
- safety_code
- 53-36/37/39-45
- Hazard Classifications
- Acute Tox. 4 OralRepr. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
Metabolism/Metabolites(-)-thalidomide has known human metabolites that include (-)-thalidomide arene oxide, 5'-Hydroxythalidomide, and 5-hydroxy-thalidomide.
응용 분야
용도Optically active isomer of Thalidomide, which inhibits FGF-induced angiogenesis. Inhibits replication of human immunodeficiency virus type 1. Teratogenic sedative
일반 설명Thalidomide is a stereoisomer, which exists in two enantiomeric states. The S enantiomer is teratogenic. Thalidomide consists of two linked rings, a phthalimide and glutarimide ring.
상·하류 제품 정보
하류 제품
공급사44 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉誉祥医药科技有限公司13971275651 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
BOC Sciences16314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Aladdin Scientific[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]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
云南博泉金属材料有限公司13160237726 13160237726 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
추가 설명
정의ChEBI: A 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…