(S)-1-Boc-3-methylpiperazine , 98% , 147081-29-6

Synonym(s):
tert-Butyl (S)-3-methyl-1-piperazinecarboxylate

CAS NO.：147081-29-6

Empirical Formula: C10H20N2O2

Molecular Weight: 200.28

MDL number: MFCD02683204

PRODUCT Properties

• Melting point: 40-45 °C
• alpha: -16 º (c=1 in dioxane)
• Boiling point: 268.7±15.0 °C(Predicted)
• Density: 0.997±0.06 g/cm3(Predicted)
• storage temp.: Keep in dark place,Inert atmosphere,2-8°C
• pka: 8.52±0.40(Predicted)
• form: Crystalline Powder
• color: White to yellow
• optical activity: [α]/D -16±2°, c = 1 in dioxane
• Sensitive: Air Sensitive
• InChI: InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
• InChIKey: FMLPQHJYUZTHQS-QMMMGPOBSA-N
• SMILES: N1(C(OC(C)(C)C)=O)CCN[C@@H](C)C1
• CAS DataBase Reference: 147081-29-6(CAS DataBase Reference)

Description and Uses

(S)-1-Boc-3-methylpiperazine is a hydrophobic compound that is structurally modified from the tetracyclic family of drugs. It has been shown to inhibit tumor cell growth by binding to the oncogene, KRASG12C, and downregulating its expression. This compound also inhibits cancer cell growth through the inhibition of the PI3K/AKT signaling pathway. The pharmacological effects of (S)-1-Boc-3-methylpiperazine are dependent on its ability to bind with high affinity to KRASG12C and inhibit its activity.

Reactant involved in the synthesis of biologically activy molecules including:

• CCR5 antagonists with anti-HIV-1 activity
• Opioid receptor antagonists
• Human growth hormone secretagogue receptor antagonists for treatment of obesity
• Fatty acid oxidation inhibitors

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H315-H318-H335
• Precautionary statements: P280-P302+P352-P305+P351+P338+P310
• Hazard Codes: Xi
• Risk Statements: 37/38-41-34
• Safety Statements: 26-39-45-36/37/39
• RIDADR: 3259
• WGK Germany: 3
• F: 10-34
• HS Code: 29335990