EN3356

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CAS Number

1429329-63-4

Synonyms

AS N001, ASN-001

Purity

=95%

Smiles

C(C)(O)(C=1SC(=NC1)C2=CC=C(F)C=C2)C=3C=CN=CC3

Chemical Information

4-Pyridinemethanol, alpha-(2-(4-fluorophenyl)-5-thiazolyl)-alpha-methyl-

CYP17 Lyase Inhibitor ASN001 is an orally available non-steroidal, lyase-selective inhibitor of the steroid 17-alpha-hydroxylase/C17,20 lyase (CYP17A1 or CYP17), with potential anti-androgenic and antineoplastic activities. Upon oral administration, CYP17 lyase inhibitor ASN001 selectively binds to and inhibits the lyase activity of CYP17A1 in both the testes and adrenal glands, resulting in a significant reduction in androgen production to castrate-range levels. This may both decrease androgen-dependent growth signaling and inhibit the proliferation of androgen-dependent tumor cells. The cytochrome P450 enzyme CYP17A1, which is localized to the endoplasmic reticulum, exhibits both 17alpha-hydroxylase and 17,20-lyase activities; it plays a key role in the steroidogenic pathway. The selective inhibition of CYP17A1 lyase activity by ASN001 prevents the increased synthesis of mineralocorticoids that is normally seen with non-selective CYP17 inhibitors, which also inhibit the 17-alpha-hydroxylase activity of CYP17A1.

CAS Number	1429329-63-4
PubChem CID	71544351
IUPAC Name	1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-1-pyridin-4-ylethanol
Molecular Formula	C16H13FN2OS
Molecular Weight	300.4
XLogP	2.7
Topological Polar Surface Area	74.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	345

SMILES

CC(C1=CC=NC=C1)(C2=CN=C(S2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C16H13FN2OS/c1-16(20,12-6-8-18-9-7-12)14-10-19-15(21-14)11-2-4-13(17)5-3-11/h2-10,20H,1H3

InChIKey

AQVYQEWAZCIHMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1429329-63-4

CID: 71544351

Formula: C16H13FN2OS

MW: 300.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	300.4
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	300.07326238
Monoisotopic Mass	300.07326238
Topological Polar Surface Area	74.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	345
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19211937-01	EN3356

EN3356

Chemical Information

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