GSH Tracker Probe

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Description

GSH Tracker Probe (CPDSA) is a cyanine-based fluorescent probe with a NIR emission that is specific for GSH (excitation: 635 nm; emission: 655-755 nm) . CPDSA can monitor and image GSH levels in live cells and in vivo[1].

CAS Number

1888323-45-2

UNSPSC

12352005

Target

Fluorescent Dye

Related Pathways

Others

Field of Research

Others

Smiles

CN(C)C1=CC=CC2=C(S(=O)(N3CCN(C4=C(/C=C/C(C(C)(C5=C6C=CC=C5)C)=[N+]6CCC)CCC/C4=C\C=C7N(CCC)C(C=CC=C8)=C8C\7(C)C)CC3)=O)C=CC=C21.[I-]

Molecular Formula

C52H64IN5O2S

Molecular Weight

950.07

References & Citations

[1]Yin J, et al. Preparation of a cyanine-based fluorescent probe for highly selective detection of glutathione and its use in living cells and tissues of mice. Nat Protoc. 2015 Nov;10 (11) :1742-54.

Shipping Conditions

Room temperature

Scientific Category

Dye Reagents

Clinical Information

No Development Reported

Chemical Information

5-[4-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]-6-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexylidene]piperazin-4-ium-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine iodide

CAS Number	1888323-45-2
PubChem CID	162310973
IUPAC Name	5-[4-[(2E)-2-[(2E)-2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]-6-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexylidene]piperazin-4-ium-1-yl]sulfonyl-N,N-dimethylnaphthalen-1-amine iodide
Molecular Formula	C52H64IN5O2S
Molecular Weight	950.1
Topological Polar Surface Area	58.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	61
Formal Charge	0
Complexity	1720

SMILES

CCCN1C2=CC=CC=C2C(C1=CC=C3CCC/C(=C\C=C\4/C(C5=CC=CC=C5N4CCC)(C)C)/C3=[N+]6CCN(CC6)S(=O)(=O)C7=CC=CC8=C7C=CC=C8N(C)C)(C)C.[I-]

InChI

InChI=1S/C52H64N5O2S.HI/c1-9-32-56-45-24-13-11-22-42(45)51(3,4)48(56)30-28-38-18-15-19-39(29-31-49-52(5,6)43-23-12-14-25-46(43)57(49)33-10-2)50(38)54-34-36-55(37-35-54)60(58,59)47-27-17-20-40-41(47)21-16-26-44(40)53(7)8;/h11-14,16-17,20-31H,9-10,15,18-19,32-37H2,1-8H3;1H/q+1;/p-1

InChIKey

TXDNZGHLPPMZCB-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1888323-45-2

CID: 162310973

Formula: C52H64IN5O2S

MW: 950.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	950.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	949.38255
Monoisotopic Mass	949.38255
Topological Polar Surface Area	58.5 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1720
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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