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454-29-5

454-29-5 structure

Name: DL-Homocysteine
Chemical Name: DL-Homocysteine
CAS Number: 454-29-5
Molecular Formula: C₄H₉NO₂S
Molecular Weight: 135.185
Catalog: Biochemical Amino acids and their derivatives Cysteine derivative
Create Date: 2018-02-03 08:00:00
Modify Date: 2024-01-07 22:43:44
DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain.

Name	DL-Homocysteine
Synonyms	DL-HoMocysteine DL-2-amino-4-mercapto-Butyric acid D-L-homocysteine usafb-12 Butyric acid, 2-amino-4-mercapto- DL-2-Amino-4-mercaptobutyric acid Butyric acid, 2-amino-4-mercapto-, DL- 2-Amino-4-mercaptobutyric acid D,L-Homocysteine 2-Amino-4-mercaptobutanoic acid HOMOCYSTEINE,DL 2-AMINO-4-MERCAPTOBUYRIC ACID 1-carboxy-3-mercaptopropylamine Butanoic acid, 2-amino-4-mercapto- 2-amino-4-mercapto-DL-Butyric acid 2-amino-4-sulfanylbutanoic acid Homocysteine (VAN) TOTALHOMOCYSTEINE H-DL-Hcys-OH 2-Amino-4-Mercapto-Butyric Acid EINECS 207-222-9 homocystine (±)-Homocysteine 2-amino-4-mercapto-Butanoic acid UNII:S7IJP4A89K MFCD00004898 Homocysteine 2-thioethylglycine Butyric acid, 2-amino-4-mercapto-, DL- (9CI)

Description	DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain.
Related Catalog	Natural Products >> Others Research Areas >> Others
Target	Human Endogenous Metabolite
In Vitro	DL-Homocysteine (0.1-0.5 mM) significantly enhances kynurenic acid (KYNA) production in rat cortical slices, and diministes the production of at 3.0, 5.0, and 10.0 mM, with the estimated IC50 of 6.4 (5.5-7.5) mM. DL-Homocysteine dose-dependently inhibits kynurenine aminotransferases I (KATI) activity at concentrations ≥0.2 mM, with an IC50 of 0.566 (0.442-0.724) mM, and the activity of KAT II with IC50 value of 8.046 (5.804-11.154) mM[1].
In Vivo	DL-Homocysteine (1.3 mmol/kg, i.p.) increases KYNA content (pmol/g tissue) from 8.47 ± 1.57 to 13.04 ± 2.86 and 11.4 ± 1.72 in cortex, and from 4.11 ± 1.54 to 10.02 ± 3.08 in rat hippocampus[1].
References	[1]. DL-Homocysteine, et al. Dual effect of DL-homocysteine and S-adenosylhomocysteine on brain synthesis of the glutamate receptor antagonist, kynurenic acid. J Neurosci Res. 2005 Feb 1;79(3):375-82.

Density	1.3±0.1 g/cm3
Boiling Point	299.7±35.0 °C at 760 mmHg
Melting Point	232-233 °C(lit.)
Molecular Formula	C₄H₉NO₂S
Molecular Weight	135.185
Flash Point	135.0±25.9 °C
Exact Mass	135.035400
PSA	102.12000
LogP	0.22
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.538
Storage condition	2-8°C
Stability	Stable. Combustible. Incompatible with strong oxidizing agents.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MT0175000

CHEMICAL NAME :: DL-Homocysteine

CAS REGISTRY NUMBER :: 454-29-5

LAST UPDATED :: 199709

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C4-H9-N-O2-S

MOLECULAR WEIGHT :: 135.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 770 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Phage inhibition capacity

TEST SYSTEM :: Bacteria - Escherichia coli

DOSE/DURATION :: 125 mg/L

REFERENCE :: APMBAY Applied Microbiology. (Washington, DC) V.1-30, 1953-75. For publisher information, see AEMIDF. Volume(issue)/page/year: 12,234,1964

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	C
Safety Phrases	S22-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	MT0175000
HS Code	2930909090

1192-20-7

~36%

454-29-5

462-10-2

Literature: ADISSEO FRANCE S.A.S.; Huet, Robert; Joerger, Jean-Michel; Henryon, Vivien Patent: US2013/184474 A1, 2013 ; Location in patent: Paragraph 0031; 0032; 0033; 0034; 0035; 0036 ;

462-10-2

454-29-5

Literature: Allen; Steinman Journal of the American Chemical Society, 1952 , vol. 74, p. 3932

1017-76-1

454-29-5

Literature: Riegel; du Vigneaud Journal of Biological Chemistry, 1935 , vol. 112, p. 149,153 Full Text Show Details duVigneaud; Brown Biochemical Preparations, 1957 , vol. 5, p. 96

6038-19-3

454-29-5

Literature: Bregant, Sarah; Burlina, Fabienne; Chassaing, Gerard Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 7 p. 1047 - 1050 Title/Abstract Full Text View citing articles Show Details Guerard, Christine; Breard, Maud; Courtois, Fabienne; Drujon, Thierry; Ploux, Olivier Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 7 p. 1661 - 1664

59-51-8

454-29-5

Literature: Bommarius, Andreas S.; Drauz, Karlheinz; Guenther, Kurt; Knaup, Guenter; Schwarm, Michael Tetrahedron Asymmetry, 1997 , vol. 8, # 19 p. 3197 - 3200

Precursor 5
1192-20-7 462-10-2 1017-76-1 6038-19-3
59-51-8
DownStream 9
348-67-4 20291-59-2 63-68-3 979-92-0
59-51-8 2906-60-7 65061-27-0 88096-02-0
88096-03-1

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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