MOR-CES2

CAT: 0931-T86922-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T86922-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2956672-93-6

Target

Others

Related Pathways

Others

Bioactivity

MOR-CES2, a near-infrared fluorescent probe (E x = 630 nm, E m = 735 nm), effectively identifies cancer cells and tissues and demonstrates sensitivity to inflammation. It shows promise as a valuable imaging instrument in aiding the surgical resection of CES2-related tumors [1].

Smiles

C(=CC1=[N+](CC)C=2C(O1)=CC=CC2)C3=C4C(=CC=5C(O4)=CC(OC(=O)C6=CC=CC=C6)=CC5)CCC3.[I-]

Molecular Formula

C31H26INO4

Molecular Weight

603.45

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Mor-ces2

CAS Number	2956672-93-6
PubChem CID	171038214
IUPAC Name	[5-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-7,8-dihydro-6H-xanthen-3-yl] benzoate iodide
Molecular Formula	C31H26INO4
Molecular Weight	603.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	900

SMILES

CC[N+]1=C(OC2=CC=CC=C21)/C=C/C3=C4C(=CC5=C(O4)C=C(C=C5)OC(=O)C6=CC=CC=C6)CCC3.[I-]

InChI

InChI=1S/C31H26NO4.HI/c1-2-32-26-13-6-7-14-27(26)35-29(32)18-16-21-11-8-12-24-19-23-15-17-25(20-28(23)36-30(21)24)34-31(33)22-9-4-3-5-10-22;/h3-7,9-10,13-20H,2,8,11-12H2,1H3;1H/q+1;/p-1/b18-16+;

InChIKey

OYHOAOHLJFQIDQ-HYNBPGMHSA-M

Chemical Structure

2D Structure

CAS: 2956672-93-6

CID: 171038214

Formula: C31H26INO4

MW: 603.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	603.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	603.09066
Monoisotopic Mass	603.09066
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T9901A-1827-01	MOR-106
T204644-01	MOR modulator-1
T81763-01	MOR agonist-3
T79547-01	MOR agonist-2
T88888-01	MOR agonist-4
T78779-01	D3R/MOR antagonist 2
T78778-01	D3R/MOR antagonist 1
TRP-00573-01	Human CES2 Enzyme
T200901-01	FXR/CES2 modulator 1
TMPY-01690-01	Carboxylesterase 2/CES2 Protein, Mouse, Recombinant (His)

Alternative Products

Catalog	Name
HY-D2285	MOR-CES2
CSC-C9509J	MOR
HY-P991598	MOR-106
MBS478139-01	MOR-BSA
MBS478107-01	MOR mAb2
A14-Ab4	MOR mAb4
A14-Ab3	MOR mAb3
B14-Ag1	MOR-BSA1
464935	MOR 14
324298-01	MOR-1

MOR-CES2

Chemical Information

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