Thromboxane B2

HCID 5283137CAS 54397-85-2
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Grundinformationen

Standard-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
Summenformel
C20H34O6
Durchschnittliche Molmasse
370,5 g/mol
Monoisotopische Masse
370,2355388

Namen und Bezeichner

Bevorzugter Name
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
Englischer Name
Thromboxane B2
Summenformel
C20H34O6
Molmasse
370.48

Namen und Synonyme

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))-
Weitere Namen anzeigen
Thromboxane 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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
107 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
12
Schwere Atome
26

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid
Collision Cross Section · 2 Einträge

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

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

Physikochemische Eigenschaften

Schmelzpunkt
95 · 95-96°
storage temp.
20 °C · −20°C
Löslichkeit
Chloroform (Slightly, Heated)
Aggregatzustand
Solid
Farbe
White to Off-White
Merck
13 · 13,9466

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesRepr. 2 (100%)

Sicherheitsdaten

F
8-10-21
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

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsAdipose Tissue；Bladder；Epidermis；Lung；Neuron；Pancreas；Placenta；Platelet；Prostate；Skeletal Muscle；Spleen；Testis
Cellular LocationsExtracellular；Membrane
Metabolite Pathways · 1 Eintrag

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

Anwendungen · 1 Eintrag

VerwendenAn 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.

Anbieter39 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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.

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