Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0I3RQ)
DIG Name
Threonine
Synonyms    Click to Show/Hide the Synonyms of This DIG
L-threonine; threonine; 72-19-5; Threonin; L-(-)-Threonine; (2S,3R)-2-amino-3-hydroxybutanoic acid; (S)-Threonine; H-Thr-OH; 2-amino-3-hydroxybutyric acid; Threonine (VAN); (2S,3R)-2-Amino-3-hydroxybutyric acid; Threoninum [Latin]; Treonina [Spanish]; Threonine [USAN:INN]; Threonine, L-; thre; L-Threonin; L-thr; (2S)-threonine; MFCD00064270; L-alpha-Amino-beta-hydroxybutyric acid; (2S,3R)-(-)-Threonine; 2-Amino-3-hydroxybutanoic acid, (R-(R*,S*))-; UNII-2ZD004190S; Butanoic acid, 2-amino-3-hydroxy-, (R-(R*,S*))-; L-2-Amino-3-hydroxybutyric acid; CHEBI:16857; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; 2ZD004190S; L-Threonine, 98%; THREONINE (L); DSSTox_CID_26412; DSSTox_RID_81591; DSSTox_GSID_46412; DL-allothreonine; Threonine #; Threoninum; Treonina; thr; Threonine, DL-; Allothreonine, D-; CAS-72-19-5; (R-(R*,S*))-2-Amino-3-hydroxybutanoate; [R-(R*,S*)]-2-Amino-3-hydroxybutanoate; (R-(R*,S*))-2-Amino-3-hydroxybutanoic acid; L-(U-14C)Threonine; EINECS 200-774-1; NSC 16589; NSC 46701; NSC46701; 2-Amino-3-hydroxybutanoate; MFCD00063722; HSDB 7797; L-Threonine;; (+/-)-2-Amino-3-hydroxybutyric acid; NCGC00164520-01; NCGC00164520-02; Threonine (USP); L-Threonine,(S); L-Thr-OH; L-Threonine (9CI); Threonine, labeled with carbon-14, L-; L-Threonine (JP17); Threonine, L- (8CI); 2-Amino-3-hydroxybutyrate; bmse000049; bmse000810; bmse000859; L-Threonine (H-Thr-OH); SCHEMBL1480; L-2-Amino-3-hydroxybutyrate; L-Threonine non-animal source; CCRIS 8603; CHEMBL291747; GTPL4785; DTXSID2046412; DTXSID70893087; DTXSID301015364; L-alpha-Amino-beta-hydroxybutyrate; L-Threonine, Cell Culture Reagent; Pharmakon1600-01301008; ZINC895103; HY-N0658; EINECS 201-300-6; Tox21_112154; ANW-36168; NSC760118; s4951; (2S,3R)-2-Amino-3-hydroxybutyrate; AKOS006240505; AKOS015840277; Tox21_112154_1; CCG-214540; CS-W020046; DB00156; MCULE-5505393195; NSC 206292; NSC-760118; 7013-32-3; AC-11296; AS-12789; L-Threonine, BioXtra, >=99.5% (NT); L-Threonine, p.a., 99.0-101.0%; AI3-18477; DB-029984; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoate; AM20100684; (2S,3R)-rel-2-Amino-3-hydroxybutanoic acid; L-Threonine, reagent grade, >=98% (HPLC); 72T195; C00188; D00041; M-5927; M02962; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoic acid; 88847-EP2289892A1; 88847-EP2305825A1; L-Threonine, Vetec(TM) reagent grade, >=98%; Q186521; 3DD2E9AD-DB9A-460E-8A6B-C01B0F67AC4E; Q-201331; 48: PN: WO2004076659 FIGURE: 7 claimed sequence; F8881-8883; L-Threonine, certified reference material, TraceCERT(R); Z1259341114; L-Threonine, European Pharmacopoeia (EP) Reference Standard; UNII-0O72R8RF8A component AYFVYJQAPQTCCC-GBXIJSLDSA-N; UNII-N7U7BXP2OI component AYFVYJQAPQTCCC-GBXIJSLDSA-N; UNII-TFM6DU5S6A component AYFVYJQAPQTCCC-GBXIJSLDSA-N; L-Threonine, United States Pharmacopeia (USP) Reference Standard; L-Threonine, Pharmaceutical Secondary Standard; Certified Reference Material; L-Threonine, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%; L-Threonine, PharmaGrade, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture
DIG Function
Buffering agent
PubChem CID
6288
Formula
C4H9NO3
Canonical SMILES
C[C@H]([C@@H](C(=O)O)N)O
InChI
1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKey
AYFVYJQAPQTCCC-GBXIJSLDSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
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3D MOL 2D MOL
Physicochemical Properties Molecular Weight 119.12 Topological Polar Surface Area 83.6
XlogP -2.9 Complexity 93.3
Heavy Atom Count 8 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Cell line (CELL)
            DBT Name: Leukemia L1210 cells (L1210) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 100 ug.mL-1 (estimated based on the structural similarity with CHEMBL319354 ) [1]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Mus musculus (Mouse)
                    Cellosaurus ID CVCL_0382
References
1 Preparation and evaluation of optically active 4,4-difluorothreonine as a potent novel antitumor material. Bioorg Med Chem Lett. (1991) 1:271-276.

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