NAAA-IN-1

CAT: 0804-HY-147773-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-147773-01Size:5 mg

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Description

NAAA-IN-1 (Compound 1) is a potent and selective inhibitor of NAAA with an IC50 of 7 nM. NAAA is a cysteine amidase which preferentially hydrolyzes the endogenous biolipids palmitoylethanolamide (PEA) and oleoylethanolamide (OEA) . NAAA-IN-1 has the potential for the research of inflammation and pain[1].

CAS Number

1439366-66-1

UNSPSC

12352005

Target

Ceramidase

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/naaa-in-1.html

Purity

99.65

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

C[C@@H]1OC([C@@H]1NC(OCC2=CC=C(C=C2)C3=CC=CC=C3)=O)=O

Molecular Formula

C18H17NO4

Molecular Weight

311.33

References & Citations

[1]Malamas MS, et al. Design and synthesis of cyanamides as potent and selective N-acylethanolamine acid amidase inhibitors. Bioorg Med Chem. 2020 Jan 1;28 (1) :115195.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Naaa-IN-1

CAS Number	1439366-66-1
PubChem CID	73291988
IUPAC Name	(4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
Molecular Formula	C18H17NO4
Molecular Weight	311.3
XLogP	3.2
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	425

SMILES

C[C@H]1[C@H](C(=O)O1)NC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1

InChIKey

MFQATLPMLVIJGV-BLLLJJGKSA-N

Chemical Structure

2D Structure

CAS: 1439366-66-1

CID: 73291988

Formula: C18H17NO4

MW: 311.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	311.3
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	311.11575802
Monoisotopic Mass	311.11575802
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	425
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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Chemical Information

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