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Alarelin

CAT: 0013-GTR19161946-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161946-06Size:100 mg
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Description
Alarelin acetate is a synthetic GnRH agonist. Alarelin is found in higher amounts than that of LH-RH in rat hypophyseal stimulation of gonadotropin secretion in vivo and in vitro and in ovulation inductions. (In Vitro) :The cell viability in the presence of alarelin was significantly lower than that in the absence of alarelin. The maximum stimulatory effect on cell viability was achieved at a concentration of 10-5 M and it acted in a dose-dependent manner. (In Vivo) :Alarelin could inhibit the gastric acid secretion both by direct actions on parietal cells in rats and by inhibiting vagous function. Alarelin could significantly enhance ratio of G1 phase and decrease ratio of S phase of GSMC of rats.
CAS Number
79561-22-1
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
CCNC (=O) [C@@H]1CCCN1C (=O) [C@H] (CCCN=C (N) N) NC (=O) [C@H] (CC (C) C) NC (=O) [C@@H] (C) NC (=O) [C@H] (CC2=CC=C (C=C2) O) NC (=O) [C@H] (CO) NC (=O) [C@H] (CC3=CNC4=CC=CC=C43) NC (=O) [C@H] (CC5=CN=CN5) NC (=O) [C@@H]6CCC (=O) N6.CC (=O) O
Molecular Formula
C56H78N16O12
Molecular Weight
1167.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

LHRH, ala(6)-gly(10)-ethylamide-

a growth hormone agonistic analog; RN given is for acetate salt

CAS Number79561-22-1
PubChem CID11979778
IUPAC Nameacetic acid;N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC60H86N16O16
Molecular Weight1287.4
Topological Polar Surface Area506
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count18
Rotatable Bond Count30
Heavy Atom Count92
Formal Charge0
Complexity2350
SMILES
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O.CC(=O)O
InChI
InChI=1S/C56H78N16O12.2C2H4O2/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38;2*1-2(3)4/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,1-4H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61);2*1H3,(H,3,4)/t31-,38?,39+,40+,41+,42+,43+,44+,45+;;/m1../s1
InChIKey
DPWSRXJWCYEGIV-CWMZTGDLSA-N
Chemical Structure
2D Structure
2D structure of LHRH, ala(6)-gly(10)-ethylamide-
CAS: 79561-22-1
CID: 11979778
Formula: C60H86N16O16
MW: 1287.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1287.4
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count18
Rotatable Bond Count30
Exact Mass1286.64077072
Monoisotopic Mass1286.64077072
Topological Polar Surface Area506 Ų
Heavy Atom Count92
Formal Charge0
Complexity2350
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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