Acyline

CAT: 0931-T70266-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70266-01Size:25 mg

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

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CAS Number

170157-13-8

Target

GNRH Receptor

Related Pathways

GPCR/G Protein

Bioactivity

Acyline is a novel GnRH antagonist found in animal studies to be a potent suppressor of circulating gonadotropin and testosterone (T) levels. Acyline inhibits basal and GnRH-stimulated serum testosterone concentrations in male dogs. Acyline prevented ovulation, but did not affect ovarian follicular development or gestational corpora lutea in the domestic cat. A single dose of the potent gonadotropin-releasing hormone antagonist acyline suppresses gonadotropins and testosterone for 2 weeks in healthy young men.

Smiles

C([C@@H](NC([C@@H](NC([C@@H](CC1=CC=C(NC(C)=O)C=C1)NC([C@H](CC2=CC=C(NC(C)=O)C=C2)NC([C@@H](NC([C@@H](CC=3C=CC=NC3)NC([C@@H](CC4=CC=C(Cl)C=C4)NC([C@@H](CC5=CC6=C(C=C5)C=CC=C6)NC(C)=O)=O)=O)=O)CO)=O)=O)=O)CC(C)C)=O)CCCCNC(C)C)(=O)N7[C@H](C(N[C@@H](C(N)=O)C)=O)CCC7

Molecular Formula

C80H102ClN15O14

Molecular Weight

1533.21

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Acyline

Acyline has been investigated for the prevention and treatment of Hypogonadism and Contraception.

CAS Number	170157-13-8
PubChem CID	16137348
IUPAC Name	(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-acetamidophenyl)propanoyl]amino]-3-(4-acetamidophenyl)propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular Formula	C80H102ClN15O14
Molecular Weight	1533.2
XLogP	5.4
Topological Polar Surface Area	429
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	40
Heavy Atom Count	110
Formal Charge	0
Complexity	3050

SMILES

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)C)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C

InChI

InChI=1S/C80H102ClN15O14/c1-46(2)37-63(72(102)89-62(18-11-12-35-84-47(3)4)80(110)96-36-14-19-70(96)79(109)85-48(5)71(82)101)90-74(104)66(40-53-23-30-60(31-24-53)86-49(6)98)92-76(106)67(41-54-25-32-61(33-26-54)87-50(7)99)94-78(108)69(45-97)95-77(107)68(43-56-15-13-34-83-44-56)93-75(105)65(39-52-21-28-59(81)29-22-52)91-73(103)64(88-51(8)100)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,84,97H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,82,101)(H,85,109)(H,86,98)(H,87,99)(H,88,100)(H,89,102)(H,90,104)(H,91,103)(H,92,106)(H,93,105)(H,94,108)(H,95,107)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,70+/m1/s1

InChIKey

ZWNUQDJANZGVFO-YHSALVGYSA-N

Chemical Structure

2D Structure

CAS: 170157-13-8

CID: 16137348

Formula: C80H102ClN15O14

MW: 1533.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1533.2
XLogP3	5.4
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	40
Exact Mass	1531.7419207
Monoisotopic Mass	1531.7419207
Topological Polar Surface Area	429 Å²
Heavy Atom Count	110
Formal Charge	0
Complexity	3050
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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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HY-16027-01	Acyline
GTR19036612-01	Acyline TFA
HY-16027A-01	Acyline (TFA)

Acyline

Chemical Information

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