Grassofermata

CAT: 0804-HY-112473-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-112473-02Size:10 mM - 1 mL

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Description

Grassofermata is a dual Arf1/Arf6 activation inhibitor. ADP ribosylation factors (Arfs) are members of the Arf family of GTP-binding proteins of the Ras superfamily.

CAS Number

419547-11-8

Product Name Alternative

NAV-2729

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Ras

Type

Reference compound

Related Pathways

GPCR/G Protein; MAPK/ERK Pathway

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/NAV-2729.html

Purity

99.10

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

O=C1C=C(C2=CC=C([N+]([O-])=O)C=C2)NC3=C(C4=CC=C(Cl)C=C4)C(CC5=CC=CC=C5)=NN13

Molecular Formula

C25H17ClN4O3

Molecular Weight

456.88

Precautions

H302, H315, H319, H335

References & Citations

[1]Yamauchi Y, et al. Machineries regulating the activity of the small GTPase Arf6 in cancer cells are potential targets for developing innovative anti-cancer drugs. Adv Biol Regul. 2017 Jan;63:115-121.|[2]Benabdi S, et al. Family-wide Analysis of the Inhibition of Arf Guanine Nucleotide Exchange Factors with Small Molecules: Evidence of Unique Inhibitory Profiles. Biochemistry. 2017 Sep 26;56 (38) :5125-5133.

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

2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

NAV2729 is a pyrazolopyrimidine that is 4H-pyrazolo[1,5-a]pyrimidin-7-one which is substituted at positions 2, 3, and 5 by benzyl, p-chlorophenyl, and p-nitrophenyl groups, respectively. It is an inhibitor of ADP-ribosylation factor 6 (ARF6), a member of the ADP ribosylation factor family of GTP-binding proteins. It has a role as an inhibitor. It is a C-nitro compound, a pyrazolopyrimidine and a member of monochlorobenzenes.

CAS Number	419547-11-8
PubChem CID	2257249
IUPAC Name	2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Molecular Formula	C25H17ClN4O3
Molecular Weight	456.9
XLogP	5.3
Topological Polar Surface Area	90.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	33
Formal Charge	0
Complexity	871

SMILES

C1=CC=C(C=C1)CC2=C(C3=NC(=CC(=O)N3N2)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,28H,14H2

InChIKey

WHYGBVWGARJOCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 419547-11-8

CID: 2257249

Formula: C25H17ClN4O3

MW: 456.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	456.9
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	456.0989181
Monoisotopic Mass	456.0989181
Topological Polar Surface Area	90.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	871
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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407413	Grassofermata

Grassofermata

Chemical Information

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