MedKoo Cat#: 525820 | Name: PD 114595

Description:

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

PD 114595 is a Benzothiopyrano-indazole cpd. Cl-958, PD 121373, and PD 114595 belong to a new class of DNA complexers, substituted 2H-[1]benzothiopyrano[4,3,2-cd] indazoles, and are being further developed as antitumor drugs based on their curative properties against murine solid tumor models. The biochemical effects of these drugs on L1210 leukemia cells and their interaction with DNA were studied and compared to clinically used intercalators. The benzothiopyranoindazoles bound to DNA with a relatively high affinity, having intrinsic association constants of between 3 and 4 x 10(5) M-1.

Chemical Structure

PD 114595
PD 114595
CAS#94636-28-9

Theoretical Analysis

MedKoo Cat#: 525820

Name: PD 114595

CAS#: 94636-28-9

Chemical Formula: C23H31N5O2S

Exact Mass: 441.2198

Molecular Weight: 441.59

Elemental Analysis: C, 62.56; H, 7.08; N, 15.86; O, 7.25; S, 7.26

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.
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Related CAS #
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Synonym
PD-114595; PD114595; PD 114595
IUPAC/Chemical Name
OC1=CC=C(S2)C(C3=NN(CCN(CC)CC)C4=C3C2=C(NCCNCCO)C=C4)=C1
InChi Key
DOMGIMOQNJMAQB-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H31N5O2S/c1-3-27(4-2)12-13-28-19-7-6-18(25-10-9-24-11-14-29)23-21(19)22(26-28)17-15-16(30)5-8-20(17)31-23/h5-8,15,24-25,29-30H,3-4,9-14H2,1-2H3
SMILES Code
OC1=CC=C(S2)C(C3=NN(CCN(CC)CC)C4=C3C2=C(NCCNCCO)C=C4)=C1
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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 441.59 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: Fry DW, Besserer JA. Biochemical pharmacology and DNA-drug interactions by Cl-958, a new antitumor intercalator derived from a series of substituted 2H-[1]benzothiopyrano[4,3,2-cd]indazoles. Mol Pharmacol. 1988 Jan;33(1):84-92. PubMed PMID: 2447481.