新戊酰氧基甲基丁酸酯

Description

pivalyloxymethyl butyrate · CAS 122110-53-6 · C10H18O4. UNII 55VNK5440P.

Identification

CAS Registry Number	122110-53-6
PubChem CID	60748
Molecular formula	C10H18O4
IUPAC name	butanoyloxymethyl 2,2-dimethylpropanoate
UNII (FDA)	55VNK5440P

Computed Descriptors

Molecular Weight	202.25
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	202.12050905
Monoisotopic Mass	202.12050905
Topological Polar Surface Area	52.6
Heavy Atom Count	14
Formal Charge	0

Documented Uses

• Investigated for use/treatment in liver cancer, lung cancer, melanoma, and leukemia (lymphoid).
• Pivaloyloxymethyl butyrate is a histone deacetylase inhibitor analog of butyric acid that causes apoptosis of cancer cells through signaling cellular differentiation. It is rapidly and extensively transported intracellularly because of its high lipophilicity, where it undergoes esterase-mediated hydrolysis to form pivalic acid, formaldehyde, and BA.

Synonyms

Pivalyloxymethyl butyrate; RefChem:929363; Pivanex; 122110-53-6; AN-9; (PIVALOYLOXY)METHYL BUTYRATE; Pivaloyloxymethyl butyrate; AN 9; Butanoic acid,(2,2-dimethyl-1-oxopropoxy)methyl ester; 37380-45-3; pivaloyloxymethylbutyrate; AN 9 (ion exchanger); butanoyloxymethyl 2,2-dimethylpropanoate; MFCD00209896; UNII-55VNK5440P; BRN 4861411

Frequently Asked Questions

What are the CAS number and molecular formula of pivalyloxymethyl butyrate?

CAS 122110-53-6; molecular formula C10H18O4; molecular weight — g/mol.

What other names is pivalyloxymethyl butyrate known by?

Pivalyloxymethyl butyrate, RefChem:929363, Pivanex, 122110-53-6, AN-9, (PIVALOYLOXY)METHYL BUTYRATE.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.