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Alarelin acetate is a synthetic LH-RH agonist, and stimulates the release of FSH and LH from the pituitary gland. It is known for its induction of ovulation and used to treat endmometriosis.
CAT No: 10-101-02
CAS No: 79561-22-1
Synonyms/Alias: ALARELIN ACETATE;Alarelin (Acetate);79561-22-1;79561-22-1 (acetate); 148029-26-9 (free base).;(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-15-methyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide diacetate;Alarelin Acetate?;Alarelin (Acetate) (Standard);ALARELIN ACETATE [WHO-DD];DPWSRXJWCYEGIV-PFHUABGLSA-N;HY-17405R;Alarelin Acetate - Bio-X trade mark;AKOS030526179;CS-1172;FA64933;AS-74852;BA164142;HY-17405;
Chemical Name: acetic acid;(2S)-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
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M.F/Formula | C60H86N16O16 |
M.W/Mr. | 1287.4 |
Sequence | One Letter Code:XHWSYALRP Three Letter Code:H-Pyr-His-Trp-Ser-Tyr-D-Ala-Leu-Arg-Pro-NHEt.2CH3CO2H |
Appearance | Solid powder |
Activity | Agonist |
Biological Activity | Alarelin acetate is a synthetic GnRH agonist. |
Target | GnRH Receptor |
Long-term Storage Conditions | Soluble in DMSO, not in water |
Shipping Condition | Room temperature in continental US; may vary elsewhere. |
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 |
InChI Key | DPWSRXJWCYEGIV-PFHUABGLSA-N |
Canonical SMILES | CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O.CC(=O)O |
Isomeric 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.CC(=O)O |
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