Tanaproget
Grundinformationen
- CAS
304853-42-7- Standard-SMILES
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2- InChIKey
PYVFWTPEBMRKSR-UHFFFAOYSA-N- Summenformel
- C16H15N3OS
- Durchschnittliche Molmasse
- 297,4 g/mol
- Monoisotopische Masse
- 297,0935831
Überblick
Tanaproget (NSP-989) is an investigational non-steroidal progestin. It is a high affinity, high efficacy agonist of the progesterone receptor (PR) with a much more selective binding profile relative to most conventional progestins. Because of this tanaproget may prove to produce fewer side effects in comparison. It is currently in the process of being developed for clinical use as a contraceptive by Ligand Pharmaceuticals. An analog of tanaproget, 4-fluoropropyltanaproget (18F), has been developed as a radiotracer for imaging of the PR in positron emission tomography.
Namen und Bezeichner
- Bevorzugter Name
- Tanaproget
- IUPAC
- 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile
- Englischer Name
- NSP989
- Summenformel
- C16H15N3OS
- Molmasse
- 297.37
Namen und Synonyme
Tanaproget304853-42-7NSP-989W9F9H8GXWR5-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrileDTXSID001845565-(4,4-dimethyl-2-sulfanylidene-2,4-dihydro-1H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitriletanaprogetumRefChem:891070DTXCID401070475-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile1H-Pyrrole-2-carbonitrile, 5-(1,4-dihydro-4,4-dimethyl-2-thioxo-2H-3,1-benzoxazin-6-yl)-1-methyl-
Weitere Namen anzeigen
NSP989Tanaproget (NSP989)NSP9895-(1,4-dihydro-4,4-dimethyl-2-thioxo-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-Pyrrole-2-carbonitrile5-(4,4-Dimethyl-2-thioxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile
5-(4,4-dimethyl-2-thioxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrileTanaproget [USAN]Tanaproget [USAN:INN]UNII-W9F9H8GXWR1zucNSP 989TANAPROGET [INN]Tanaproget (USAN/INN)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 82,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 483
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.4
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 · 225-228℃
- Siedepunkt
- 441.3 · 441.3±55.0 °C(Predicted)
- Dichte
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Powder
- pka
- 11.84 · 11.84±0.40(Predicted)
- Farbe
- Light yellow to yellow
- InChI
- 1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
- InChIKey
- PYVFWTPEBMRKSR-UHFFFAOYSA-N
- SMILES
- S=C1Nc2c(cc(cc2)c3[n](c(cc3)C#N)C)C(O1)(C)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Sicherheitsdaten
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Repr. 1B
Chemie und Industrie
Anwendungen
VerwendenOral contraception; nonsteroidal ligand for the progesterone receptor.
Anbieter25 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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…