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MedKoo Cat#: 524135 | Name: Adrogolide HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Adrogolide Hydrochloride acts as a selective dopamine receptor D1 agonist. It was developed as a possible treatment for Parkinson's disease, as well as for other applications such as treatment of cocaine addiction. It has mainly been used as its diacetate ester prodrug adrogolide.

Chemical Structure

Adrogolide HCl
CAS#166591-11-3 (HCl)

Theoretical Analysis

MedKoo Cat#: 524135

Name: Adrogolide HCl

CAS#: 166591-11-3 (HCl)

Chemical Formula: C22H26ClNO4S

Exact Mass: 435.1271

Molecular Weight: 435.96

Elemental Analysis: C, 60.61; H, 6.01; Cl, 8.13; N, 3.21; O, 14.68; S, 7.35

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
171752-56-0 (free base) 166591-11-3 (HCl)
Synonym
Adrogolide Hydrochloride; Adrogolide HCl; A-93431.1; A93431.1; A 93431.1; DAS 431; DAS-431; DAS431; ABT 431;ABT-431;ABT431;
IUPAC/Chemical Name
Benzo(f)thieno(2,3-c)quinoline-9,10-diol, 4,5,5a,6,7,11b-hexahydro-2-propyl-, diacetate (ester), hydrochloride, (5aR-trans)-
InChi Key
NPEZSCRKHFTLPE-MYXGOWFTSA-N
InChi Code
InChI=1S/C22H25NO4S.ClH/c1-4-5-15-9-17-21(28-15)11-23-18-7-6-14-8-19(26-12(2)24)20(27-13(3)25)10-16(14)22(17)18;/h8-10,18,22-23H,4-7,11H2,1-3H3;1H/t18-,22+;/m1./s1
SMILES Code
CCCC(S1)=CC2=C1CN[C@]3([H])CCC4=CC(OC(C)=O)=C(OC(C)=O)C=C4[C@@]23[H].[H]Cl
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Related CAS# 171752-56-0 (Adrogolide free base) 166591-11-3 (Adrogolide hydrochloride)

Preparing Stock Solutions

The following data is based on the product molecular weight 435.96 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Gleason SD, Witkin JM. Effects of dopamine D1 receptor full agonists in rats trained to discriminate SKF 38393. Behav Pharmacol. 2004 Feb;15(1):85-9. PubMed PMID: 15075630. 2: Castner SA, Goldman-Rakic PS. Enhancement of working memory in aged monkeys by a sensitizing regimen of dopamine D1 receptor stimulation. J Neurosci. 2004 Feb 11;24(6):1446-50. PubMed PMID: 14960617. 3: Okumu FW, Lee RY, Blanchard JD, Queirolo A, Woods CM, Lloyd PM, Okikawa J, Gonda I, Farr SJ, Rubsamen R, Adjei AL, Bertz RJ. Evaluation of the AERx pulmonary delivery system for systemic delivery of a poorly soluble selective D-1 agonist, ABT-431. Pharm Res. 2002 Jul;19(7):1009-12. PubMed PMID: 12180532. 4: Giardina WJ, Williams M. Adrogolide HCl (ABT-431; DAS-431), a prodrug of the dopamine D1 receptor agonist, A-86929: preclinical pharmacology and clinical data. CNS Drug Rev. 2001 Fall;7(3):305-16. Review. PubMed PMID: 11607045. 5: Rascol O, Nutt JG, Blin O, Goetz CG, Trugman JM, Soubrouillard C, Carter JH, Currie LJ, Fabre N, Thalamas C, Giardina WW, Wright S. Induction by dopamine D1 receptor agonist ABT-431 of dyskinesia similar to levodopa in patients with Parkinson disease. Arch Neurol. 2001 Feb;58(2):249-54. PubMed PMID: 11176963. 6: Self DW, Karanian DA, Spencer JJ. Effects of the novel D1 dopamine receptor agonist ABT-431 on cocaine self-administration and reinstatement. Ann N Y Acad Sci. 2000;909:133-44. PubMed PMID: 10911927. 7: Castner SA, Williams GV, Goldman-Rakic PS. Reversal of antipsychotic-induced working memory deficits by short-term dopamine D1 receptor stimulation. Science. 2000 Mar 17;287(5460):2020-2. PubMed PMID: 10720329. 8: Zheng Y, Marsh KC, Bertz RJ, El-Shourbagy T, Adjei AL. Pulmonary delivery of a dopamine D-1 agonist, ABT-431, in dogs and humans. Int J Pharm. 1999 Nov 30;191(2):131-40. PubMed PMID: 10564839. 9: Rascol O, Blin O, Thalamas C, Descombes S, Soubrouillard C, Azulay P, Fabre N, Viallet F, Lafnitzegger K, Wright S, Carter JH, Nutt JG. ABT-431, a D1 receptor agonist prodrug, has efficacy in Parkinson's disease. Ann Neurol. 1999 Jun;45(6):736-41. PubMed PMID: 10360765. 10: Haney M, Collins ED, Ward AS, Foltin RW, Fischman MW. Effect of a selective dopamine D1 agonist (ABT-431) on smoked cocaine self-administration in humans. Psychopharmacology (Berl). 1999 Mar;143(1):102-10. PubMed PMID: 10227086. 11: Shiosaki K, Asin KE, Britton DR, Giardina WJ, Bednarz L, Mahan L, Mikusa J, Nikkel A, Wismer C. Hyperactivity and behavioral seizures in rodents following treatment with the dopamine D1 receptor agonists A-86929 and ABT-431. Eur J Pharmacol. 1996 Dec 19;317(2-3):183-90. PubMed PMID: 8997599. 12: Shiosaki K, Jenner P, Asin KE, Britton DR, Lin CW, Michaelides M, Smith L, Bianchi B, Didomenico S, Hodges L, Hong Y, Mahan L, Mikusa J, Miller T, Nikkel A, Stashko M, Witte D, Williams M. ABT-431: the diacetyl prodrug of A-86929, a potent and selective dopamine D1 receptor agonist: in vitro characterization and effects in animal models of Parkinson's disease. J Pharmacol Exp Ther. 1996 Jan;276(1):150-60. PubMed PMID: 8558425. 13: Michaelides MR, Hong Y, DiDomenico S Jr, Asin KE, Britton DR, Lin CW, Williams M, Shiosaki K. (5aR,11bS)-4,5,5a,6,7,11b-hexahydro-2-propyl-3-thia-5-azacyclopent-1- ena[c]-phenanthrene-9,10-diol (A-86929): a potent and selective dopamine D1 agonist that maintains behavioral efficacy following repeated administration and characterization of its diacetyl prodrug (ABT-431). J Med Chem. 1995 Sep 1;38(18):3445-7. PubMed PMID: 7658429.