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540838

Sigma-Aldrich

4-Piperidine butyric acid hydrochloride

97%

Synonym(s):

4-(Piperidin-4-yl)butanoic acid hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C9H18ClNO2
CAS Number:
84512-08-3
Molecular Weight:
207.70
MDL number:
MFCD02684340
UNSPSC Code:
12352100
PubChem Substance ID:
24878498
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

113-117 °C (lit.)

functional group

carboxylic acid

SMILES string

Cl[H].OC(=O)CCCC1CCNCC1

InChI

1S/C9H17NO2.ClH/c11-9(12)3-1-2-8-4-6-10-7-5-8;/h8,10H,1-7H2,(H,11,12);1H

InChI key

UTPNREIRALGKPW-UHFFFAOYSA-N

Related Categories

General description

4-Piperidine butyric acid hydrochloride participates in the synthesis of FK866 [(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(pyridin-3-yl)acrylamide], an inhibitor of NAD biosynthesis.

Application

Reactant for:
Modification of 3-amidinophenylalanine-derived matriptase inhibitors
Reactions between Weinreb amides and 2-magnesiated oxazoles

Reactant for synthesis of:
NAmPRTase inhibitors
FK866 analogs for NAD salvage inhibition

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

210.2 °F - closed cup

Flash Point(C)

99 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

540838-BULK:
540838-5G:
540838-VAR:
540838-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBQ4734V
MKBK1694V
MKBH5036V
MKBG1574V
05007TH

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Characterization of NAD uptake in mammalian cells.
Billington RA, et al.
The Journal of Biological Chemistry, 283(10), 6367-6374 (2008)
Ubaldina Galli et al.
ChemMedChem, 3(5), 771-779 (2008-02-06)
One of the great challenges of medicinal chemistry is to create novel, effective, chemotherapeutic agents that show specificity for cancer cells combined with low systemic toxicity. A novel idea is to target the enzymes of the NAD biosynthesis and recycling
Hyun You et al.
European journal of medicinal chemistry, 46(4), 1153-1164 (2011-02-19)
NAmPRTase (PBEF/Visfatin) plays a pivotal role in the salvage pathway of NAD(+) biosynthesis. NAmPRTase has been an attractive target for anti-cancer agents that induce apoptosis of tumor cells via a declining plasma NAD(+) level. In this report, a series of

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