YM-430

CAT: 0931-T29183-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T29183-02Size:50 mg

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CAS Number

153192-22-4

Target

Others, Calcium Channel, Adrenergic Receptor

Related Pathways

Others, Metabolism, GPCR/G Protein, Membrane transporter/Ion channel, Neuroscience

Bioactivity

YM-430 is a β1 adrenergic receptor antagonist and a calcium channel antagonist. YM430 could be both an antianginal and antihypertensive agent. YM430 (10 (-8) -10 (-6) M) inhibited 3,4-diaminopyridine-induced rhythmic contractions with an IC50 value of 59.2 nM. In anesthetized rats, YM430 (10-100 mg/kg PO) inhibited arginine vasopressin-induced ST-segment depression with an IC50 value of 36.6 mg/kg PO.

Smiles

C(OCCCCNC[C@@H](COC1=CC=CC=C1)O)(=O)C=2[C@H](C(C(OC)=O)=C(C)NC2C)C3=CC(N(=O)=O)=CC=C3

Molecular Formula

C29H35N3O8

Molecular Weight

553.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

YM 15430-1

YM-15430-1-4 are stereoisomers; RN refers to YM 15430-1, (S,S-isomer); structure given in first source

CAS Number	153192-22-4
PubChem CID	9915614
IUPAC Name	5-O-[4-[(2-hydroxy-3-phenoxypropyl)amino]butyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C29H35N3O8
Molecular Weight	553.6
XLogP	3.8
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Heavy Atom Count	40
Formal Charge	0
Complexity	938

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCCNCC(COC2=CC=CC=C2)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C29H35N3O8/c1-19-25(28(34)38-3)27(21-10-9-11-22(16-21)32(36)37)26(20(2)31-19)29(35)39-15-8-7-14-30-17-23(33)18-40-24-12-5-4-6-13-24/h4-6,9-13,16,23,27,30-31,33H,7-8,14-15,17-18H2,1-3H3

InChIKey

HBXMSJLNXYLVTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153192-22-4

CID: 9915614

Formula: C29H35N3O8

MW: 553.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	553.6
XLogP3	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Exact Mass	553.24241508
Monoisotopic Mass	553.24241508
Topological Polar Surface Area	152 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	938
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5778841	YM-430
C21722-100uL	Ym-1 + Ym-2 Antibody [C18B8]
BA6789-5	YM-244769
BA4193-5	YM-1
B7399-25	YM 202074
B5637-10	YM 244769
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B6870-10	YM 976
B7250-50	YM 750
BA6407-5	YM-341619

YM-430

Chemical Information

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