YM 511

CAT: 0931-T23549-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T23549-03Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

148869-05-0

Target

Aromatase, Cytochromes P450

Related Pathways

Endocrinology/Hormones, Metabolism

Purity

>99.99%

Bioactivity

YM 511 is a highly specific non-steroidal aromatase inhibitor. YM 511 inhibits aromatase activities in microsomes from rat ovary and human placenta competitively (IC50s of 0.4 and 0.12 nM, respectively) . YM 511 slightly inhibits production of other steroid hormones. YM 511 has the potential for suppressing estrogen-dependent action research without affecting serum levels of other steroid hormones.

Smiles

N(CC1=CC=C(Br)C=C1)(C2=CC=C(C#N)C=C2)N3C=NN=C3

Molecular Formula

C16H12BrN5

Molecular Weight

354.2

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile

CAS Number	148869-05-0
PubChem CID	177865
IUPAC Name	4-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
Molecular Formula	C16H12BrN5
Molecular Weight	354.20
XLogP	3.4
Topological Polar Surface Area	57.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	387

SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)Br

InChI

InChI=1S/C16H12BrN5/c17-15-5-1-14(2-6-15)10-22(21-11-19-20-12-21)16-7-3-13(9-18)4-8-16/h1-8,11-12H,10H2

InChIKey

GGPPBTSXFROGAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148869-05-0

CID: 177865

Formula: C16H12BrN5

MW: 354.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	354.20
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	353.02761
Monoisotopic Mass	353.02761
Topological Polar Surface Area	57.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	387
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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T88324-01	YM-344031
T62860-01	YM-341619
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