Photosensitizer-3

CAT: 0013-GTR19234787-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19234787-01Size:1 mg

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Description

Photosensitizer-3 is a near-infrared light-activated compound that generates singlet oxygen. It enables targeted photodynamic therapy, selectively killing FAP-transfected HEK cells and affibody-targeted A431 cancer cells in vitro, supporting research in targeted cancer therapeutics and photodynamic mechanisms.

CAS Number

1928742-39-5

Field of Research

Cell Biology

Purity

99.61% (May vary between batches)

Smiles

[Cl-].O=C (OCC) CCCOC1=C (I) C=C (C=C1I) C (C2=CC=C (C=C2) N (C) C) =C3C=CC (C=C3) =[N+] (C) C

Molecular Formula

C29H33ClI2N2O3

Molecular Weight

746.85

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Photosensitizer-3

CAS Number	1928742-39-5
PubChem CID	170453370
IUPAC Name	[4-[[4-(dimethylamino)phenyl]-[4-(4-ethoxy-4-oxobutoxy)-3,5-diiodophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Molecular Formula	C29H33ClI2N2O3
Molecular Weight	746.8
Topological Polar Surface Area	41.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	37
Formal Charge	0
Complexity	799

SMILES

CCOC(=O)CCCOC1=C(C=C(C=C1I)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)I.[Cl-]

InChI

InChI=1S/C29H33I2N2O3.ClH/c1-6-35-27(34)8-7-17-36-29-25(30)18-22(19-26(29)31)28(20-9-13-23(14-10-20)32(2)3)21-11-15-24(16-12-21)33(4)5;/h9-16,18-19H,6-8,17H2,1-5H3;1H/q+1;/p-1

InChIKey

UMCMUSYHDIZEHF-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1928742-39-5

CID: 170453370

Formula: C29H33ClI2N2O3

MW: 746.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	746.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	746.02692
Monoisotopic Mass	746.02692
Topological Polar Surface Area	41.8 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	799
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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HY-157503-01	Photosensitizer-3
HY-147521	Antitumor photosensitizer-3
T75352-01	Photosensitizer-1
MBS5823135	Photosensitizer-2
HY-162958	Photosensitizer-6
HY-159153	Photosensitizer-4
HY-175591	Photosensitizer-7
HY-162867	Photosensitizer-5
T89854-01	Antitumor photosensitizer-6
HY-161981	Antitumor photosensitizer-8

Photosensitizer-3

Chemical Information

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