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21339-55-9

21339-55-9 structure
21339-55-9 structure
  • Name: (S)-Indoximod
  • Chemical Name: (2S)-2-amino-3-(1-methylindol-3-yl)propanoic acid
  • CAS Number: 21339-55-9
  • Molecular Formula: C12H14N2O2
  • Molecular Weight: 218.252
  • Catalog: Biochemical Chinese herbal medicine ingredients
  • Create Date: 2018-02-10 08:00:00
  • Modify Date: 2024-01-02 19:24:38
  • (S)-Indoximod (1-Methyl-L-tryptophan) is an inhibitor of indoleamine 2,3-dioxygenase (IDO). (S)-Indoximod can be used for the research of cancer[1][2].

Name (2S)-2-amino-3-(1-methylindol-3-yl)propanoic acid
Synonyms 1-Methyl-L-tryptophan
DL-1-Methyltryptophan
MFCD00467133
L-Tryptophan, 1-methyl-
1-methyl-(D,L)-tryptophan
1-Methyl-L-tryptophane
H-L-Trp(N-CH3)-OH
H-Trp(1-Me)-OH
BIDD:GT0440
(S)-2-Amino-3-(1-methyl-1H-indol-3-yl)propanoic acid
Density 1.28
Boiling Point 429.3±35.0 °C at 760 mmHg
Melting Point 223-226 ºC
Molecular Formula C12H14N2O2
Molecular Weight 218.252
Flash Point 213.4±25.9 °C
Exact Mass 218.105530
PSA 68.25000
LogP 1.43
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.625
Storage condition 2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YN7135000
CHEMICAL NAME :
L-Tryptophan, 1-methyl-
CAS REGISTRY NUMBER :
21339-55-9
LAST UPDATED :
198910
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H14-N2-O2
MOLECULAR WEIGHT :
218.28

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 :
286 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 1,515,1976
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn
Risk Phrases R20/21/22
Safety Phrases 36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS YN7135000
HS Code 2933990090

~92%

21339-55-9 structure

21339-55-9

Literature: He, Bin; Song, Hao; Du, Yu; Qin, Yong Journal of Organic Chemistry, 2009 , vol. 74, # 1 p. 298 - 304

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21339-55-9 structure

21339-55-9

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 17 p. 2471 - 2474
Precursor  2

DownStream  0

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%