프로스타글란딘D2
Prostaglandin D2
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
41598-07-6- 표준 SMILES
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O- InChIKey
BHMBVRSPMRCCGG-OUTUXVNYSA-N- 분자식
- C20H32O5
- 평균 분자량
- 352.5 g/mol
- 단동위원소 질량
- 352.22497412
이름 및 식별자
- 우선 이름
- Prostaglandin D2
- IUPAC
- (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
- 현지명
- 프로스타글란딘D2
- 영어명
- PROSTAGLANDIN D2
- 분자식
- C20H32O5
- 분자량
- 352.47
이름 및 동의어
prostaglandin D2PGD241598-07-611-Dehydroprostaglandin F2-alphaBRN 217062311-Dehydroprostaglandin F2alphaRXY07S6CZ211-Dehydroprostaglandin F2 alphaDTXSID30897162(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate
이름 더 보기
프로스타글란딘D2PGDSProstaglandin D?PROSTAGLANDINS D22PROSTAGLANDIN D2PGD2 (Prostaglandin D2)RP23-47P18.11-006, 21kDa11-dehydroprostaglandinf2-alpha
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acidCHEBI:15555(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acidProsta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,13E,15S)-D2, Prostaglandin11 Dehydroprostaglandin F2alpha11 Dehydroprostaglandin F2 alphaF2alpha, 11-Dehydroprostaglandin
데이터베이스 식별자
- CAS
41598-07-6- PubChem CID
- 448457
- DTXSID
DTXSID30897162- ChEMBL
CHEMBL1235252- ChEBI
CHEBI:15555- UNII
- RXY07S6CZ2
- EC Number
- 636-995-9
- Nikkaji
- J16.416J
물성
구조 계산 물성보충 중
- XLogP
- 2.6
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 469
실험 및 물리화학적 성질
Melting Point56 - 57 °C
Physical DescriptionSolid
Collision Cross Section
196.63 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
192.4 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；186.17 Ų [M-H2O-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
189.4 Ų [M-H]-；195.4 Ų [M+Na]+
물리화학적 성질
- 녹는점
- 68 °C · 68°C
- 끓는 점
- 406.07 °C · 406.07°C (rough estimate)
- 밀도
- 1.0601 · 1.0601 (rough estimate)
- 굴절률
- 1.612 · 1.6120 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름 (약간 용해됨), 에탄올 (약간 용해됨), 메탄올 (약간 용해됨), THF (약간 용해됨)
- 물리적 상태
- 흰색 고체
- 산도 계수 (pKa)
- 4.76 · 4.76±0.10(Predicted)
- 색상
- 흰색에서 밝은 주황색까지
- 생물학적 소스
- synthetic
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]；H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
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.；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 CategoriesAcute Tox. 4 (100%)；Repr. 1B (100%)
안전 데이터
- wgk
- 3
- rtecs
- UK7930000
- risk_code
- 60-22
- hazard_code
- T
- safety_code
- 53-22-26-36
- F 고인화성물질
- 10
- 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
Tissue LocationsAdipose Tissue；Brain；Epidermis；Liver；Neuron；Platelet；Smooth Muscle；Spleen
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane
Metabolite Pathways
Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 43 pathways, visit the HMDB page for details
응용 분야
개요Prostaglandin D2 (PGD2) is the major eicosanoid product of mast cells and is released in large quantities during allergic and asthmatic anaphylaxis. Mastocytosis patients produce excessive amounts of PGD2, which causes vasodilation, flushing, hypotension, and syncopal episodes. PGD2 is also produced in the brain via an alternative pathway involving a soluble, secreted PGD-synthase also known as β-trace. In the brain, PGD2 produces normal physiological sleep and lowering of body temperature. Further pharmacological actions include inhibition of platelet aggregation and relaxation of vascular smooth muscle. PGD2 inhibits human ovarian tumor cell proliferation with an IC50 of 6.8 μM.
용도Prostaglandin D2 is a fatty acid compound present in the human body. Elevated levels of localized Prostaglandin D2 has been linked to hair loss and growth inhibition. It has also been seen to contribute to the activity of allergic asthma.
상·하류 제품 정보
상류 원료
관련 반응
24건
화합물 노트
불러오는 중…