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Chlorin e6

CAT: 0804-HY-13594-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-13594-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Chlorin e6 is a photosensitizer and has strong absorption peaks at wavelength of 402 and 662 nm, as well as exhibiting intense fluorescence at 668 nm. Chlorin e6 has antimicrobial efficacy and anticancer activity. Chlorin e6 induces cell apoptosis via caspase-3 activation and can be used for the research of cancer[1][2][3].
CAS Number
19660-77-6
Product Name Alternative
Ce6
UNSPSC
12171500
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; Bcl-2 Family; Caspase; Fluorescent Dye; PARP
Type
Dye Reagents
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics; Others
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/chlorin-e6.html
Purity
99.51
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
OC(C/C1=C2[C@H]([C@@H](C(/C=C3N/C(C(C=C)=C\3C)=C\C4=N/C(C(CC)=C4C)=C\C5=C(C)C(C(O)=O)=C1N5)=N\2)C)CCC(O)=O)=O
Molecular Formula
C34H36N4O6
Molecular Weight
596.67
Precautions
H302, H315, H319, H335
References & Citations
[1]Nie M, et al. Photodynamic inactivation mediated by methylene blue or chlorin e6 against Streptococcus mutans biofilm [J]. Photodiagnosis and photodynamic therapy, 2020, 31: 101817.|[2]Karuppusamy S, et al. Nanoengineered chlorin e6 conjugated with hydrogel for photodynamic therapy on cancer [J]. Colloids and Surfaces B: Biointerfaces, 2019, 181: 778-788.|[3]Shrestha R, et al. Effect of Photodynamic Therapy with Chlorin e6 on Canine Tumors [J]. Life, 2022, 12 (12) : 2102.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

(2S-trans)-18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionic acid

Chlorin E6 is a member of chlorins.

CAS Number19660-77-6
PubChem CID5479494
IUPAC Name(17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
Molecular FormulaC34H36N4O6
Molecular Weight596.7
XLogP4.6
Topological Polar Surface Area169
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1090
SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)O)CCC(=O)O)C)C)C=C)C
InChI
InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35-36H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/t17-,21-/m0/s1
InChIKey
OYINILBBZAQBEV-UWJYYQICSA-N
Chemical Structure
2D Structure
2D structure of (2S-trans)-18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionic acid
CAS: 19660-77-6
CID: 5479494
Formula: C34H36N4O6
MW: 596.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.7
XLogP34.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass596.26348488
Monoisotopic Mass596.26348488
Topological Polar Surface Area169 Ų
Heavy Atom Count44
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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