MedKoo Cat#: 128770 | Name: Chloropretadalafil
Featured

Description:

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

Chloropretadalafil serves as a synthetic intermediate in the production of tadalafil, a selective inhibitor of phosphodiesterase type 5 (PDE5) used to treat erectile dysfunction and benign prostatic hyperplasia.

Chemical Structure

Chloropretadalafil
Chloropretadalafil
CAS#171489-59-1

Theoretical Analysis

MedKoo Cat#: 128770

Name: Chloropretadalafil

CAS#: 171489-59-1

Chemical Formula: C22H19ClN2O5

Exact Mass: 426.0982

Molecular Weight: 426.85

Elemental Analysis: C, 61.90; H, 4.49; Cl, 8.30; N, 6.56; O, 18.74

Price and Availability

Size Price Availability Quantity
5g USD 350.00 2 Weeks
10g USD 650.00 2 Weeks
25g USD 950.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
Chloropretadalafil
IUPAC/Chemical Name
methyl (1R,3R)-1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
InChi Key
JUKHNCNDFOAFLT-IIBYNOLFSA-N
InChi Code
InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21-/m1/s1
SMILES Code
O=C([C@@H](CC1=C2NC3=CC=CC=C31)N(C(CCl)=O)[C@@H]2C4=CC=C5OCOC5=C4)OC
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 426.85 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. Daugan, A., Grondin, P., Ruault, C., et al. The discovery of tadalafil: A novel and highly selective PDE5 inhibitor. 2: 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione analogues. J. Med. Chem. 46(21), 4533-4542 (2003).