EET analog 7

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Description

EET analog 7 is an epoxyeicosatrienoic acid (EET) analog that can be conjugated with folate receptor ligands to target kidney cells expressing high levels of folate receptors. EET analog 7 can be used for constructing kidney-targeted drug conjugates[1].

CAS Number

1402547-47-0

UNSPSC

12352211

Target

Drug Derivative

Related Pathways

Others

Field of Research

Cancer

Smiles

CCCCCNC(NCCCC/C=C\CCCCCCC(N[C@H](C(O)=O)CC(O)=O)=O)=O

Molecular Formula

C23H41N3O6

Molecular Weight

455.59

References & Citations

[1]John D. Imig, et al. Kidney-targeted epoxyeicosatrienoic acid (eet) analogs. WO2019055814. 2019-03-21.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

(2S)-2-[[(Z)-13-(pentylcarbamoylamino)tridec-8-enoyl]amino]butanedioic acid

CAS Number	1402547-47-0
PubChem CID	66556445
IUPAC Name	(2S)-2-[[(Z)-13-(pentylcarbamoylamino)tridec-8-enoyl]amino]butanedioic acid
Molecular Formula	C23H41N3O6
Molecular Weight	455.6
XLogP	3.5
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	20
Heavy Atom Count	32
Formal Charge	0
Complexity	580

SMILES

CCCCCNC(=O)NCCCC/C=C\CCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C23H41N3O6/c1-2-3-13-16-24-23(32)25-17-14-11-9-7-5-4-6-8-10-12-15-20(27)26-19(22(30)31)18-21(28)29/h5,7,19H,2-4,6,8-18H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,24,25,32)/b7-5-/t19-/m0/s1

InChIKey

RLAXHUGRQALCNK-WPGJWXSHSA-N

Chemical Structure

2D Structure

CAS: 1402547-47-0

CID: 66556445

Formula: C23H41N3O6

MW: 455.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	455.6
XLogP3	3.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	20
Exact Mass	455.29953604
Monoisotopic Mass	455.29953604
Topological Polar Surface Area	145 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	580
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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EET analog 7

Chemical Information

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