Natural Product (NP) Details

General Information of the NP (ID: NP4809)
Name
Cystine
Synonyms
DL-CYSTINE; cystine; 923-32-0; 3,3'-disulfanediylbis(2-aminopropanoic acid); Dicysteine; Cystine acid; Cystin; Cysteine disulfide; (H-Cys-OH); Cystine, L-; NSC13203; 2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid; MFCD00084652; (-)-Cystine; .beta.,.beta.'-Dithiodialanine; CHEBI:17376; Alanine, 3,3'-dithiobis-; Cystine, DL-; alpha-Diamino-beta-dithiolactic acid; 3,3'-Dithiobis(2-aminopropanoic acid); DL-Cystine-d6; 3,3'-Dithiobis(2-aminopropionic acid); Bis(.beta.-amino-.beta.-carboxyethyl) disulfide; C6H12N2O4S2; NSC 13203; cistina; Zystin; MFCD00064228; D,L-cystine; NCGC00164531-01; Cystine,(S); 352431-53-9; Alanine,3'-dithiodi-; DL-Cystine, 99%; PubChem12373; Alanine,3'-dithiobis-; DL-Cystine, free base; ACMC-209ibx; ACMC-209luu; 90350-38-2; L-3,3'-dithiodialanine; ACMC-1AZ5O; (H-DL-Cys-OH)2; CYSTINE, (L); Cystine_RamanathanGurudeeban; SCHEMBL10224; CHEMBL366563; BDBM86199; .beta.,.beta.'-Dithiobisalanine; CAS_595; DTXSID50859005; NSC_595; Pharmakon1600-01300099; BCP29195; ANW-43036; BBL011587; CAS_67678; NSC-13203; NSC_67678; NSC203781; NSC205366; NSC755897; STL163324; AKOS000121517; AKOS016050601; AM81645; CS-W014656; MCULE-2293704247; NE11203; NSC-203781; NSC-205366; NSC-755897; VA50617; .beta.,.beta.'-dicarboxydiethyldisulfide; 3,7-diamino-5-phenyl-phenaziniuchloride; NCGC00164531-02; NCGC00164531-03; AK-43995; AK-49718; AS-66164; K684; SY033311; SY036878; SY038309; .beta.,.beta.'-dicarboxydiethyl disulfide; SBI-0207067.P001; DB-052986; FT-0624467; FT-0625453; FT-0627753; FT-0770594; ST45022122; 24645-67-8; (+/-)-3,3'-Dithiobis(2-aminopropionicacid); 3055-EP2272972A1; 3055-EP2272973A1; 3055-EP2277872A1; 3055-EP2287152A2; 3055-EP2295410A1; 3055-EP2301939A1; Bis(.beta.-amino-.beta.-carboxyethyl)disulfide; C-9765; C01420; L-Cystine-1,1 inverted exclamation marka-13C2; 923C320; SR-01000872746; SR-01000872746-1; Q27102343; Z56346947; L-Cystin;Acetylcysteine Impurity A;3,3'-Dithiodialanine; Propanoic acid,3'-dithiobis[2-amino-, [R-(R*,R*)]-; .beta.,.beta.'-Diamino-.beta.,.beta.'-dicarboxydiethyl disulfide; 5228F255-51E7-421E-8A05-4687B20118CB; 2-amino-3-(2-amino-3-hydroxy-3-oxopropyl)disulfanylpropansure; 2-amino-3-[(2-amino-3-hydroxy-3-oxo-propyl)disulfanyl]propanoic acid; 4746-38-7
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Species Origin Gallus gallus ...     Click to Show/Hide
Gallus gallus
Kingdom: Metazoa
Phylum: Chordata
Class: Aves
Order: Galliformes
Family: Phasianidae
Genus: Gallus
Species: Gallus gallus
Disease Colitis [ICD-11: 1A40] Investigative [1]
Structure
Click to Download Mol
2D MOL

3D MOL

ADMET Property
Absporption
Caco-2 Permeability
 -5.766
 
MDCK Permeability
 -4.223
 
PAMPA
 +++
 
HIA
 - -
 
Distribution
VDss
 -0.908
 
PPB
 17.7%
 
BBB
 - - -
 
Metabolism
CYP1A2 inhibitor
 - - -
CYP1A2 substrate
 - - -
CYP2C19 inhibitor
 - - -
CYP2C19 substrate
 - - -
CYP2C9 inhibitor
 - - -
CYP2C9 substrate
 - - -
CYP2D6 inhibitor
 - - -
CYP2D6 substrate
 +++
CYP3A4 inhibitor
 - - -
CYP3A4 substrate
 - - -
CYP2B6 inhibitor
 - -
CYP2B6 substrate
 - - -
CYP2C8 inhibitor
 - - -
HLM Stability
 - - -
 
Excretion
CLplasma
 2.776
 
T1/2
 1.541
Toxicity
DILI
 ++
 
Rat Oral Acute Toxicity
 +
 
FDAMDD
 - - -
 
Respiratory
 - -
 
Human Hepatotoxicity
 - -
 
Ototoxicity
 - -
 
Drug-induced Nephrotoxicity
 ++
 
Drug-induced Neurotoxicity
 - - -
 
Hematotoxicity
 - -
 
Genotoxicity
 +
 
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++). 2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C6H12N2O4S2
PubChem CID
595
Canonical SMILES
C(C(C(=O)O)N)SSCC(C(=O)O)N
InChI
1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChIKey
LEVWYRKDKASIDU-UHFFFAOYSA-N
CAS Number
CAS 923-32-0
ChEBI ID
CHEBI:17376
Herb ID
HBIN022516
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Trolox      Lung cancer     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model Animal model of type 2 diabetes were used in this study.
                    Experimental
                    Result(s)		 Combination of Trolox C and cytisine are effective for the treatment of type 2 diabetes.
          Tegafur      Solid tumour/cancer     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Experimental
                    Result(s)		 The chemotherapeutic action of tegafur (FT) against adenocarcinoma 755 in mice was markedly potentiated by oral administration of L-cysteine and L-cystine without increasing its toxicity.
Target and Pathway
Target(s) Cystine/glutamate transporter (SLC7A11)  Molecule Info  [4]
References
Reference 1 Cystine reduces tight junction permeability and intestinal inflammation induced by oxidative stress in Caco-2 cells. Amino Acids. 2021 Jul;53(7):1021-1032.
Reference 2 Drug-repurposing identified the combination of Trolox C and Cytisine for the treatment of type 2 diabetes. J Transl Med. 2014 May 31;12:153.
Reference 3 Potentiation of the chemotherapeutic action of tegafur against solid adenocarcinoma 755 by combination with L-cystine. J Cancer Res Clin Oncol. 1986;111(3):187-90.
Reference 4 Cystine transporter SLC7A11/xCT in cancer: ferroptosis, nutrient dependency, and cancer therapy. Protein Cell. 2021 Aug;12(8):599-620.
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