트롬복산B2

Thromboxane B2

HCID 5283137CAS 54397-85-2

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기본 정보

표준 SMILES: CCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIKey: XNRNNGPBEPRNAR-JQBLCGNGSA-N
분자식: C20H34O6
평균 분자량: 370.5 g/mol
단동위원소 질량: 370.2355388

이름 및 식별자

우선 이름: Thromboxane B2
IUPAC: (Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
현지명: 트롬복산B2
영어명: Thromboxane B2
분자식: C20H34O6
분자량: 370.48

이름 및 동의어

thromboxane B254397-85-2TXB2DTXSID60903947(Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acidV94M3R26ZVCHEBI:287289S,11,15S-trihydroxy-thromboxa-5Z,13E-dien-1-oic acid(5Z,13E,15S)-9alpha,11,15-trihydroxythromboxa-5,13-dien-1-oic acidThromboxa-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9alpha,13E,15S)-B2, Thromboxane5-Heptenoic acid, 7-(tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1-octenyl)-2H-pyran-3-yl)-, (2R-(2alpha(1E,3S*),3beta(Z),4beta,6alpha))-

이름 더 보기

트롬복산B2Thromboxane B2 EIATXB2 (Thromboxane B2)Thromboxane B2 (Standard)Thromboxane B2 MaxSpecStandardThromboxane B2 Lipid Maps MS Standard9ALPHA,11,15S-TRIHYDROXYTHROMBA-5Z,13E-DIEN-1-OIC ACID(5Z,13E,15S)-9α,11,15-Trihydroxythromboxa-5,13-dien-1-oic acid(5Z,9α,13E,15S)9,11,15-TrihydroxythroMboxa-5,13-dien-1-oic Acid

(Z)-7-((2R,3S,4S)-4,6-dihydroxy-2-((E,3S)-3-hydroxyoct-1-enyl)oxan-3-yl)hept-5-enoic acidRefChem:189795DTXCID901331895(Z)-7-((2R,3S,4S)-4,6-dihydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)tetrahydro-2H-pyran-3-yl)hept-5-enoic acid63783-09-5UNII-V94M3R26ZVXNRNNGPBEPRNAR-JQBLCGNGSA-NPG Thromboxane B2

데이터베이스 식별자

CAS: 54397-85-2
PubChem CID: 5283137
DTXSID: DTXSID60903947
ChEMBL: CHEMBL1552426
ChEBI: CHEBI:28728
EC Number: 637-284-6
Nikkaji: J37.201C

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 107 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 12
무거운 원자 수: 26
형식 전하: 0
복잡도: 448

실험 및 물리화학적 성질

Physical DescriptionSolid

Collision Cross Section · 2건

192.0 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]

202.08 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]；194.44 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

물리화학적 성질

녹는점: 95 · 95-96°
저장 조건: 20 °C · −20°C
용해도: 클로로포름(약간 용해됨 가열)
물리적 상태: 고체
색상: 흰색에서 황백색까지
Merck: 13 · 13,9466

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P280, P318, 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.；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 (100%)

안전 데이터

wgk: 3
risk_code: 63-52/53-34-32-23/24/25-5
hazard_code: Xn,T
safety_code: 22-36-45-36/37/39-26
F 고인화성물질: 8-10-21

화학 및 산업

약리 정보

Tissue LocationsAdipose Tissue；Bladder；Epidermis；Lung；Neuron；Pancreas；Placenta；Platelet；Prostate；Skeletal Muscle；Spleen；Testis

Cellular LocationsExtracellular；Membrane

Metabolite Pathways · 1건

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 41 pathways, visit the HMDB page for details

응용 분야 · 1건

용도An inactive metabolite/product of Thromboxane A2 (TBXA2): a compound involved in platelet activation and aggregation in case of a wound. Urinary analysis of TXB2 accurately reflects intrarenal TXA2 synthesis while measurement of 11-dehydro TBX2 (D230555) and 2,3-dinor thromboxane metabolites gives the best estimate of systemic TXA2 secretion.

공급사39 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]

추가 설명

정의ChEBI: A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.

연결된 노트

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