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(R) -ZINC-3573

CAT: 1410-M34478-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M34478-01Size:2 mg
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Description
(R) -ZINC-3573 is a potent and highly selective MRGPRX2 probe that activates endogenous MRGPRX2 in a human mast cell line, inducing degranulation and calcium release.
CAS Number
2089389-15-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
307.39
Molecular Formula
C18H21N5
Notes
Research use only, not for human use.
Receptor
MRGPR

Chemical Information

(R)-Zinc-3573
CAS Number2089389-15-9
PubChem CID95882507
IUPAC Name(3R)-N,N-dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine
Molecular FormulaC18H21N5
Molecular Weight307.4
XLogP2.7
Topological Polar Surface Area36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity395
SMILES
CN(C)[C@@H]1CCN(C1)C2=CC(=NC3=CC=NN32)C4=CC=CC=C4
InChI
InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m1/s1
InChIKey
XKBSPAZCFAIBJL-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of (R)-Zinc-3573
CAS: 2089389-15-9
CID: 95882507
Formula: C18H21N5
MW: 307.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass307.17969569
Monoisotopic Mass307.17969569
Topological Polar Surface Area36.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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