Carboxyamidotriazole
Grundinformationen
- CAS
99519-84-3- Standard-SMILES
NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N- InChIKey
WNRZHQBJSXRYJK-UHFFFAOYSA-N- Summenformel
- C17H12Cl3N5O2
- Durchschnittliche Molmasse
- 424,7 g/mol
- Monoisotopische Masse
- 423,00565766
Überblick
Carboxyamidotriazole has been used in trials studying the treatment of Lymphoma, Lung Cancer, Breast Cancer, Kidney Cancer, and Ovarian Cancer, among others.
Namen und Bezeichner
- Bevorzugter Name
- Carboxyamidotriazole
- IUPAC
- 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide
- Englischer Name
- 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide
- Summenformel
- C17H12Cl3N5O2
- Molmasse
- 424.67
Namen und Synonyme
Carboxyamidotriazole99519-84-3Carboxyamido-triazoleL651582NSC-6099744-CAI6ST3ZF52WBNSC 6099745-Amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-1H-1,2,3-triazole-4-carboxamideDTXSID402441081H-1,2,3-Triazole-4-carboxamide, 5-amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-5-amino-1-{[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide
Weitere Namen anzeigen
MERCK L651582Carboxyamidotriazole >=98% (HPLC)5-amino-1-[4-(4-chlorobenzoyl)-3,5-dichlorobenzyl]-1,2,3-triazole-4-carboxamide5-Amino-1-[4-(4-chlorobenzoyl)-3,5-dichlorobenzyl]-1H-1,2,3-triazole-4-carboxamide1-[3,5-Dichloro-4-(4-chlorobenzoyl)benzyl]-5-amino-1H-1,2,3-triazole-4-carboxamide1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE-5-AMINO-1-[[3,5-DICHLORO-4-(4-CHLOROBENZOYL)PHENYL]METHYL]
5-AMINO-1-[[3,5-DICHLORO-4-(4-CHLOROBENZOYL)PHENYL]METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-RefChem:123656DTXCID001665995-amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamideL-651582CAIL-651,582
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 117 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 549
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 200 · 200-202 °C
- Siedepunkt
- 685.5 · 685.5±65.0 °C(Predicted)
- Dichte
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- Löslichkeit
- 10 mg/mL · DMSO: soluble10mg/mL (clear solution)
- Aggregatzustand
- powder
- pka
- 14.16 · 14.16±0.50(Predicted)
- Farbe
- white to beige
- InChI
- 1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
- InChIKey
- WNRZHQBJSXRYJK-UHFFFAOYSA-N
- SMILES
- NC(=O)c1nnn(Cc2cc(Cl)c(c(Cl)c2)C(=O)c3ccc(Cl)cc3)c1N
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Anwendungen
VerwendenCarboxyamidotriazole is an orally active calcium channel blocker. Carboxyamidotriazole also exhibits inhibition of pro-inflammatory cytokines in tumor associated macrophages as potential anti-cancer m echanism.
Anbieter54 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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
InvivoChem中国
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…