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SNAP-6201

CAT: 0804-HY-W724254Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W724254Size:1 Each
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Description
SNAP-6201 is a selective α1a adrenoceptor antagonist with a Ki of 0.2 nM. SNAP-6201 exhibits >1400-fold selectivity over α1b and α1d adrenoceptors. SNAP-6201 exhibits excellent selectively to inhibit intraurethral pressure (IUP) in the anesthetized dog model. SNAP-6201 can be used for benign prostatic hyperplasia (BPH) research[1].
CAS Number
252201-38-0
UNSPSC
12352005
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Endocrinology
Smiles
COC(C1(C2=CC=CC=C2)CCN(CCCNC(N3C(NC(CC)=C(C(N)=O)C3C4=CC(F)=C(F)C=C4)=O)=O)CC1)=O
Molecular Formula
C30H35F2N5O5
Molecular Weight
583.63
References & Citations
[1]Nagarathnam D, et al. Design and synthesis of novel alpha (1) (a) adrenoceptor-selective antagonists. 1. Structure-activity relationship in dihydropyrimidinones. J Med Chem. 1999 Nov 18;42 (23) :4764-77.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
α adrenergic receptor

Chemical Information

Snap-6201

an alpha(1a) adrenoceptor-selective antagonist; structure in first source

CAS Number252201-38-0
PubChem CID10099811
IUPAC Namemethyl 1-[3-[[5-carbamoyl-4-(3,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3-carbonyl]amino]propyl]-4-phenylpiperidine-4-carboxylate
Molecular FormulaC30H35F2N5O5
Molecular Weight583.6
XLogP3.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity1040
SMILES
CCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)C4=CC(=C(C=C4)F)F)C(=O)N
InChI
InChI=1S/C30H35F2N5O5/c1-3-23-24(26(33)38)25(19-10-11-21(31)22(32)18-19)37(29(41)35-23)28(40)34-14-7-15-36-16-12-30(13-17-36,27(39)42-2)20-8-5-4-6-9-20/h4-6,8-11,18,25H,3,7,12-17H2,1-2H3,(H2,33,38)(H,34,40)(H,35,41)
InChIKey
YCUQRVLXIFFFNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Snap-6201
CAS: 252201-38-0
CID: 10099811
Formula: C30H35F2N5O5
MW: 583.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass583.26062556
Monoisotopic Mass583.26062556
Topological Polar Surface Area134 Ų
Heavy Atom Count42
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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