SNAP 5114

CAT: 1410-M12251-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1410-M12251-05Size:50 mg

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Description

A GABA transport inhibitor with IC50 of 5, 21, 388 and 140 uM for hGAT-3, rGAT-2, hGAT-1 and BGT-1, respectively.

CAS Number

157604-55-2

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

505.61

Molecular Formula

C30H35NO6

Notes

Research use only, not for human use.

Receptor

GAT

Chemical Information

Snap-5114

CAS Number	157604-55-2
PubChem CID	10458835
IUPAC Name	(3S)-1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]piperidine-3-carboxylic acid
Molecular Formula	C30H35NO6
Molecular Weight	505.6
XLogP	2.4
Topological Polar Surface Area	77.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Heavy Atom Count	37
Formal Charge	0
Complexity	620

SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)OCCN4CCC[C@@H](C4)C(=O)O

InChI

InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1

InChIKey

VDLDUZLDZBVOAS-QFIPXVFZSA-N

Chemical Structure

2D Structure

CAS: 157604-55-2

CID: 10458835

Formula: C30H35NO6

MW: 505.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	505.6
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	505.24643784
Monoisotopic Mass	505.24643784
Topological Polar Surface Area	77.5 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	620
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS3602251-01	SNAP 5114
532760	SNAP-5114
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MPM01386	mmu-miR-5114 Primers
HY-RI03259A-01	Mmu-miR-5114 antagomir
HY-R03259-01	Mmu-miR-5114 mimic
HY-R03259A-01	Mmu-miR-5114 agomir
MBS8301691-01	mmu-miR-5114 miRNA Mimic

SNAP 5114

Chemical Information

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