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Acyline

CAT: 0804-HY-16027-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16027-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Acyline, a GnRH peptide analogue, is a GnRH antagonist that inhibits gonadotropin and testosterone (T) levels[1].
CAS Number
170157-13-8
UNSPSC
12352209
Target
GnRH Receptor
Type
Peptides
Related Pathways
GPCR/G Protein
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/acyline.html
Purity
99.52
Solubility
H2O : 3.33 mg/mL (ultrasonic)
Smiles
CC(NC(C=C1)=CC=C1C[C@@H](NC([C@@H](NC([C@H](CO)NC([C@H](NC([C@H](NC([C@H](NC(C)=O)CC2=CC3=C(C=CC=C3)C=C2)=O)CC4=CC=C(C=C4)Cl)=O)CC5=CN=CC=C5)=O)=O)CC6=CC=C(C=C6)NC(C)=O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCNC(C)C)C(N7[C@@H](CCC7)C(N[C@H](C)C(N)=O)=O)=O)=O)=O)=O
Molecular Formula
C80H102ClN15O14
Molecular Weight
1533.21
References & Citations
[1]Y M Chan, et al. Kisspeptin/Gpr54-independent gonadotrophin-releasing hormone activity in Kiss1 and Gpr54 mutant mice. J Neuroendocrinol. 2009 Dec;21 (12) :1015-23.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
Phase 3

Chemical Information

Acyline

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

CAS Number170157-13-8
PubChem CID16137348
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 FormulaC80H102ClN15O14
Molecular Weight1533.2
XLogP5.4
Topological Polar Surface Area429
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count40
Heavy Atom Count110
Formal Charge0
Complexity3050
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
2D structure of Acyline
CAS: 170157-13-8
CID: 16137348
Formula: C80H102ClN15O14
MW: 1533.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1533.2
XLogP35.4
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count40
Exact Mass1531.7419207
Monoisotopic Mass1531.7419207
Topological Polar Surface Area429 Ų
Heavy Atom Count110
Formal Charge0
Complexity3050
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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