Grundinformationen
- Standard-SMILES
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCO)c1- InChIKey
ZNXOKLWCOWOECF-UHFFFAOYSA-N- Summenformel
- C23H27N3O6S
- Durchschnittliche Molmasse
- 473,5 g/mol
- Monoisotopische Masse
- 473,16205658
Überblick
an orally active non-peptide antagonist of endothelin receptors; structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- Ro 46-2005
- IUPAC
- 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide
- Englischer Name
- Ro 46-2005
- Summenformel
- C23H27N3O6S
- Molmasse
- 473.54
Namen und Synonyme
150725-87-4Ro 46-2005Ro-46-2005ro46-2005Ro-46200596R6F9J2AVDTXSID80164598RefChem:179681DTXCID9087089RO4620054-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide4-(tert-butyl)-N-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl)benzenesulfonamide
Weitere Namen anzeigen
Ro 46-2005, 10 mM in DMSORO 462005Ro 46 2005,Inhibitor,Ro 462005,Endothelin Receptor,Ro 46-2005,inhibitBenzenesulfonamide,4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl]-
CHEMBL115951Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl]-4-tert-butyl-N-{6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl}benzenesulfonamideZNXOKLWCOWOECF-UHFFFAOYSA-NBenzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl)-orb1304439SCHEMBL2678965SCHEMBL30057758
Datenbank-Bezeichner
- CAS
150725-87-4- PubChem CID
- 122044
- DTXSID
DTXSID80164598- ChEMBL
CHEMBL115951- UNII
- 96R6F9J2AV
- Nikkaji
- J562.238G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 128 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 687
Physikochemische Eigenschaften
- Siedepunkt
- 617.5 · 617.5±65.0 °C(Predicted)
- Dichte
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- 28 mg/mL · DMSO : ≥ 28 mg/mL (59.13 mM)
- pka
- 0.83 · 0.83±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN RECECPTORS.
Anwendungen
VerwendenRO462005 is an endothelin receptor selective agonist.
Anbieter38 Anbieter
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
InvivoChem中国13549236410 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
上海东苍生物科技有限公司+86-21-58447131 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海思言生物科技有限公司021-50908862,442785678,326799392 18721037013 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海超岚化工科技中心QQ:65489617 13301690235 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
上海康曼生物科技有限公司18800375331 · [email protected]
爱必信(上海)生物科技有限公司13761418683 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
Musechem+1-800-259-7612 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
奥默生物技术(上海)有限公司19821158099 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
Zugehörige Reaktionen
5
Verknüpfte Notizen
Wird geladen…