5-Chloropyrazolo(1,5-a)pyrimidine

HCID 21071759

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Grundinformationen

CAS: 29274-24-6
Standard-SMILES: Clc1ccn2nccc2n1
InChIKey: WEPRLWNMBTYGGD-UHFFFAOYSA-N
Summenformel: C6H4ClN3
Durchschnittliche Molmasse: 153,57 g/mol
Monoisotopische Masse: 153,00937481

Namen und Bezeichner

Bevorzugter Name: 5-Chloropyrazolo(1,5-a)pyrimidine
IUPAC: 5-chloropyrazolo[1,5-a]pyrimidine
Englischer Name: 5-Chloropyrazolo[1,5-a]pyrimidine
Summenformel: C6H4ClN3
Molmasse: 153.57

Namen und Synonyme

5-chloropyrazolo[1,5-a]pyrimidine29274-24-6DTXSID406105015-Chloropyrazolo(1,5-a)pyrimidineRefChem:302669DTXCID90561256812-022-5Pyrazolo[1,5-a]pyrimidine, 5-chloro-MFCD040356835-Chloro-pyrazolo[1,5-a]pyrimidineSCHEMBL405358CS-D1734

Weitere Namen anzeigen

Larotinib Impurity 2Larotrectinib CPP ImpurityWEPRLWNMBTYGGD-UHFFFAOYSA-N5-Chloropyrazolo[1,5-a]py...5-chlorpyrazole [1,5-a] pyrimidine5-Chloropyrazole [1,5-a] pyrimidine5-Chloropyrazolo[1,5-a]pyrimidine 97%3-(2,5-dioxopyrrolidin-5-yl)propanoicacid

AKOS005073889BG-0020FS-2831PB23376SY009281BCP04275SCHEMBL22835191SBB086949

Datenbank-Bezeichner

CAS: 29274-24-6
PubChem CID: 21071759
DTXSID: DTXSID40610501
EC Number: 812-022-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 30,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Dichte: 1.51 · 1.51±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.49 · -0.49±0.30(Predicted)
InChI: InChI=1S/C6H4ClN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H
InChIKey: WEPRLWNMBTYGGD-UHFFFAOYSA-N
SMILES: C12=CC=NN1C=CC(Cl)=N2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

ridadr: UN2811
hs_code: 2933599590
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung5-Chloropyrazolo[1,5-a]pyrimidine is formed by replacing the hydrogen atom at position 5 of the pyrazolo[1,5-a]pyrimidine compound structure with a chlorine atom. It can serve as a pharmaceutical intermediate for synthesising other bioactive compounds. Pyrazolo[1,5-a]pyrimidine derivatives function as ATP-competitive and allosteric inhibitors of protein kinases, with those targeting the epidermal growth factor receptor (EGFR) demonstrating potential in the treatment of non-small cell lung cancer (NSCLC).

Verwenden5-Chloropyrazolo[1,5-a]pyrimidine was used in the preparation of β-substituted biarylphenylalanine amides as selective amino amide dipeptidyl peptidase IV inhibitors for treatment of type 2 diabetes.