RXFP2 agonist 2

CAT: 0804-HY-150186-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-150186-01Size:5 mg

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Description

RXFP2 agonist 2 is a selective, orally active and allosteric RXFP2 agonist with an EC50 value of 0.38 μM. RXFP2 agonist 2 induces osteoblast mineralization. RXFP2 agonist 2 increases bone formation in female mice. RXFP2 agonist 2 has the potential for the research of osteoporosis[1].

CAS Number

2971704-85-3

UNSPSC

12352005

Target

RXFP Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/rxfp2-agonist-2.html

Solubility

10 mM in DMSO

Smiles

O=C(N1[C@H]2CN(CC1)C(COC3=CC=C(C=C3I)OC(F)(F)F)=O)C4=CC(C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)=CC=C4NC2=O

Molecular Formula

C29H19F9IN3O5

Molecular Weight

787.37

References & Citations

[1]Esteban-Lopez M, et al. Discovery of small molecule agonists of the Relaxin Family Peptide Receptor 2. Commun Biol. 2022 Nov 4;5 (1) :1183.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

RXFP2 agonist 2

CAS Number	2971704-85-3
PubChem CID	167993647
IUPAC Name	(4aS)-9-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[2-iodo-4-(trifluoromethoxy)phenoxy]acetyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
Molecular Formula	C29H19F9IN3O5
Molecular Weight	787.4
XLogP	6.6
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Heavy Atom Count	47
Formal Charge	0
Complexity	1150

SMILES

C1CN2[C@@H](CN1C(=O)COC3=C(C=C(C=C3)OC(F)(F)F)I)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H19F9IN3O5/c30-27(31,32)16-7-15(8-17(10-16)28(33,34)35)14-1-3-21-19(9-14)26(45)42-6-5-41(12-22(42)25(44)40-21)24(43)13-46-23-4-2-18(11-20(23)39)47-29(36,37)38/h1-4,7-11,22H,5-6,12-13H2,(H,40,44)/t22-/m0/s1

InChIKey

RXZGDVFLBPJIER-QFIPXVFZSA-N

Chemical Structure

2D Structure

CAS: 2971704-85-3

CID: 167993647

Formula: C29H19F9IN3O5

MW: 787.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	787.4
XLogP3	6.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Exact Mass	787.02257
Monoisotopic Mass	787.02257
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1150
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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Alternative Products

Catalog	Name
575455-01	RXFP2
575457-01	RXFP2 (FITC)
531660-01	RXFP2 discontinued
MBS851955-01	RXFP2 Antibody
DF5150-BP	RXFP2 Peptide
575458-01	RXFP2 (HRP)

RXFP2 agonist 2

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