α-Ketoglutaric acid - CAS 328-50-7

Catalog:	BB021435
Product Name:	α-Ketoglutaric acid
CAS:	328-50-7
Synonyms:	2-oxopentanedioic acid

Technical Data

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Computed Properties

Related CAS:	64-15-3 (free base)
IUPAC Name:	2-oxopentanedioic acid
Description:	α-Ketoglutaric acid (CAS# 328-50-7) is a derivative of glutaric acid and is an intermediate in the kreb's cycle catalyzed by glutamate dehydrogenase enzyme on glutamate.
Molecular Weight:	146.10
Molecular Formula:	C5H6O5
Canonical SMILES:	C(CC(=O)O)C(=O)C(=O)O
InChI:	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChI Key:	KPGXRSRHYNQIFN-UHFFFAOYSA-N
Melting Point:	113-115 °C
Purity:	95 %
Solubility:	541.5 mg/mL
Appearance:	Crystalline
Storage:	2-8 °C
MDL:	MFCD00004165
LogP:	-0.49510

Publication Number	Title	Priority Date
US-9096537-B1	Compositions and methods for the treatment of mucositis	20141231
US-2016106731-A1	Tricyclic indole mcl-1 inhibitors and uses thereof	20141017
US-9051320-B1	Methods for the treatment of metabolic disorders by a selective small molecule autotaxin inhibitor	20140818
US-2015376041-A1	Aqueous systems having low levels of calcium containing components	20140630
EP-2960339-A1	Method and kit for the identification of glycosyl transferase substrates	20140627

PMID	Publication Date	Title	Journal
33781819	20210701	Targeting SLC1A5 blocks cell proliferation through inhibition of mTORC1 in arsenite-treated human uroepithelial cells	Toxicology letters
32720192	20200901	Discovery of treatment for nerve agents targeting a new metabolic pathway	Archives of toxicology
32293880	20200720	Comparison of the Base Excision and Direct Reversal Repair Pathways for Correcting 1,N6-Ethenoadenine in Strongly Positioned Nucleosome Core Particles	Chemical research in toxicology
31857147	20200601	Epigallocatechin-3-gallate downregulates PDHA1 interfering the metabolic pathways in human herpesvirus 8 harboring primary effusion lymphoma cells	Toxicology in vitro : an international journal published in association with BIBRA
32272012	20200508	Disruption of the Plasmodium falciparum Life Cycle through Transcriptional Reprogramming by Inhibitors of Jumonji Demethylases	ACS infectious diseases

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GHS Hazard Statement:	H315 (53.71%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.02152329
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	146.02152329
Rotatable Bond Count:	4
Topological Polar Surface Area:	91.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9