Trypanothione

CAT: 0013-GTR19219450-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19219450-01Size:5 mg

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Description

Trypanothione is a unique bis-glutathionyl conjugate that provides essential antioxidant defense in trypanosomatid parasites. This small molecule is a critical research tool for studying parasite redox biology and for evaluating potential drug targets in diseases like African sleeping sickness, in both in vitro and in vivo experimental models.

CAS Number

96304-42-6

Smiles

N (C (CC[C@@H] (C (O) =O) N) =O) [C@@H]1C (=O) NCC (=O) NCCCCNCCCNC (=O) CNC (=O) [C@@H] (NC (CC[C@@H] (C (O) =O) N) =O) CSSC1

Molecular Formula

C27H47N9O10S2

Molecular Weight

721.85

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Trypanothione

Trypanothione is a glutathione derivative. It is functionally related to a spermidine. It is a conjugate base of a trypanothione(1+).

CAS Number	96304-42-6
PubChem CID	449517
IUPAC Name	(2S)-2-amino-5-[[(2R)-1-[[2-[4-[3-[[2-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]propylamino]butylamino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular Formula	C27H49N9O10S2
Molecular Weight	723.9
XLogP	-9.1
Topological Polar Surface Area	315
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	27
Heavy Atom Count	48
Formal Charge	0
Complexity	1090

SMILES

C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1

InChIKey

PHDOXVGRXXAYEB-VJANTYMQSA-N

Chemical Structure

2D Structure

CAS: 96304-42-6

CID: 449517

Formula: C27H49N9O10S2

MW: 723.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	723.9
XLogP3	-9.1
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	27
Exact Mass	723.30438114
Monoisotopic Mass	723.30438114
Topological Polar Surface Area	315 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1090
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
4014289.0025	Trypanothione
TYD-04402-01	Trypanothione-CoA
HY-148205A-01	Trypanothione (TFA)
MBS5816856	Trypanothione synthetase-IN-2
MBS5816855	Trypanothione synthetase-IN-1
MBS5806720	Trypanothione synthetase-IN-4
T208833-01	Trypanothione synthetase-IN-5
T131873-01	Trypanothione reductase IN 25
T74934-01	Trypanothione synthetase-IN-3

Trypanothione

Chemical Information

Alternative Products

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