5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

HCID 66560938

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Grundinformationen

CAS: 1337532-51-0
Standard-SMILES: Cn1cc(Br)c2c(N)ncnc21
InChIKey: SCHJLAFNBDGWJN-UHFFFAOYSA-N
Summenformel: C7H7BrN4
Durchschnittliche Molmasse: 227,06 g/mol
Monoisotopische Masse: 225,98541

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC: 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
Englischer Name: 5-BroMo-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine
Summenformel: C7H7BrN4
Molmasse: 227.06

Namen und Synonyme

5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine1337532-51-05-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amineMFCD204861855-Bromo-7-methyl-7H-pyrrolo-[2,3-d]pyrimidin-4-amineSCHEMBL869181DTXSID10735210SCHJLAFNBDGWJN-UHFFFAOYSA-NAKOS016387148CS-W010419EK-0205SB14687

Weitere Namen anzeigen

4-Amino-5-bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-bromo-7-methyl-5-Bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine

6-Amino-7-bromo-9-methyl-7-deazapurineSY251297DB-1074856-Amino-7-bromo-9-methyl-7-deazapurine, 97%F3044715-bromo-7-methyl-pyrrolo[2,3-d]pyrimidin-4-amine5-Bromo-7-methyl-7H-pyrrolo[23-d]pyrimidin-4-amine

Datenbank-Bezeichner

CAS: 1337532-51-0
PubChem CID: 66560938
DTXSID: DTXSID10735210
EC Number: 802-785-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 56,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Schmelzpunkt: 196 · 196-198°C
Siedepunkt: 414.8 · 414.8±40.0 °C(Predicted)
Dichte: 1.94 · 1.94±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Soluble in dichloromethane.
Aggregatzustand: Solid
pka: 4.92 · 4.92±0.30(Predicted)
Farbe: Dark Yellow
InChI: InChI=1S/C7H7BrN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)
InChIKey: SCHJLAFNBDGWJN-UHFFFAOYSA-N
SMILES: C1=NC(N)=C2C(Br)=CN(C)C2=N1

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 · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933998090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26

Chemie und Industrie

Anwendungen

Verwenden5-BroMo-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine can be used in the preparation of indoline derivatives as PERK inhibitors.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

1-[5-(4-AMino-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoroMethyl)phenyl]ethanone

Anbieter75 Anbieter

上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

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