 Home > Encyclopedia > Pantetheine

Pantetheine

Pantetheine structure

CAS No:
496-65-1
Formula:
C11H22N2O4S
Chemical Name:
Pantetheine
Synonyms:
Butanamide,2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-,(2R)-;Butanamide,2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-,(R)-;Butyramide,2,4-dihydroxy-N-[2-[(2-mercaptoethyl)carbamoyl]ethyl]-3,3-dimethyl-;(2R)-2,4-Dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutanamide;α,γ-Dihydroxy-β-dimethylbutyryl-β-alanyl-β-aminoethanethiol;Lactobacillus bulgaricus factor;LBF;N-(Pantothenyl)-β-aminoethanethiol;Pantetheine;(R)-Pantetheine;D-(+)-Pantetheine;D-Pantetheine;1971-08-0;31363-00-5
Categories:
Chemical Reagents > Organic Reagents

Description

(R)-Pantetheine is the biosynthetic precursor to CoA.(R)-Pantetheine and its corresponding disulfide pantethine, play a key role in metabolism as a building block of coenzyme A (CoA)[1].

Pantetheine is an amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine. It has a role as a metabolite, a human metabolite and a mouse metabolite. It is a thiol and a member of pantetheines.|An intermediate in the pathway of coenzyme A formation in mammalian liver and some microorganisms.

Pantetheine Basic Attributes

Molecular Weight：

278.36838

Exact Mass：

278.37

EC Number：

207-824-1

UNII：

VCH6X4IARE

Characteristics

PSA：

99.7

XLogP3：

-1

Density：

1.202g/cm3

Boiling Point：

635ºC at 760mmHg

Flash Point：

337.8ºC

Refractive Index：

1.526

Storage Conditions：

-20°C

Vapor Pressure：

8.53E-19mmHg at 25°C

Toxicity：

LD50 intraperitoneal in mouse: 440mg/kg

Specific rotation：

D20 +12.9° (c = 4.5 in water)

Collision Cross Section：

164.6 Å² [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|164.94 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

Drug Information

MeSH Entry Terms：

Pantetheine

Computed Properties

Molecular Weight:278.37
XLogP3:-1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:278.13002836
Monoisotopic Mass:278.13002836
Topological Polar Surface Area:99.7
Heavy Atom Count:18
Complexity:284
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Pantetheine

Shanghai Beixinke Chemical Co., Ltd. Contact Supplier

CN
2 YRS

Business licensed

Trader Supplier of Pharmaceutical intermediates,high molecular polymers

(R)-2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide 98%

Unit Price: $300-390 /G FOB

CAS No.: 496-65-1

Grade: Pharmaceutical Grade

Content: 98%

Inquiry