ATSP-7041 | CAS#1451197-99-1 | dual inhibitor

MedKoo Cat#: 565710 | Name: ATSP-7041

Description:

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

ATSP-7041 is a novel potent and selective dual inhibitor of mdm2 (ki = 0.9 nm) and mdmx (ki = 7 nm)

Chemical Structure

ATSP-7041

CAS#1451197-99-1

Theoretical Analysis

MedKoo Cat#: 565710

Name: ATSP-7041

CAS#: 1451197-99-1

Chemical Formula: C87H125N17O21

Exact Mass: 1743.9236

Molecular Weight: 1745.06

Elemental Analysis: C, 59.88; H, 7.22; N, 13.65; O, 19.25

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 #

No Data

Synonym

ATSP-7041; ATSP 7041; ATSP7041; Ac-Leu-Thr-Phe-cyclo(R8-Glu-Tyr-Trp-Ala-Gln-Cba-S5)-Ser-Ala-Ala-NH2

IUPAC/Chemical Name

L-Alaninamide, L-α-glutamyl-L-tyrosyl-L-tryptophyl-L-alanyl-L-glutaminyl-3-cyclobutyl-L-alanyl-N14-(N-acetyl-L-leucyl-L-threonyl-L-phenylalanyl)-(2S,6E,14R)-2,14-diamino-14-carboxy-2-methyl-6-pentadecenoyl-L-seryl-L-alanyl-, (7→1)-lactam

InChi Key

UEOCESQEOWHKDQ-YSRHUJMRSA-N

InChi Code

InChI=1S/C87H125N17O21/c1-48(2)41-63(94-53(7)107)79(119)102-71(52(6)106)83(123)99-66(42-54-25-18-17-19-26-54)82(122)104-86(8)39-22-15-13-11-10-12-14-16-23-40-87(9,85(125)101-68(47-105)80(120)93-50(4)73(113)91-49(3)72(89)112)103-81(121)65(43-55-27-24-28-55)97-75(115)61(35-37-69(88)109)95-74(114)51(5)92-77(117)67(45-57-46-90-60-30-21-20-29-59(57)60)98-78(118)64(44-56-31-33-58(108)34-32-56)96-76(116)62(100-84(86)124)36-38-70(110)111/h12,14,17-21,25-26,29-34,46,48-52,55,61-68,71,90,105-106,108H,10-11,13,15-16,22-24,27-28,35-45,47H2,1-9H3,(H2,88,109)(H2,89,112)(H,91,113)(H,92,117)(H,93,120)(H,94,107)(H,95,114)(H,96,116)(H,97,115)(H,98,118)(H,99,123)(H,100,124)(H,101,125)(H,102,119)(H,103,121)(H,104,122)(H,110,111)/b14-12-/t49-,50-,51-,52-,61-,62-,63-,64-,65-,66-,67-,68-,71-,86-,87-/m0/s1

SMILES Code

O=C(N[C@@H](CC(C)C)C(N[C@@H]([C@H](C)O)C(N[C@@H](CC1=CC=CC=C1)C(N[C@](C(N[C@@H](CCC(O)=O)C(N[C@@H](CC2=CC=C(C=C2)O)C(N[C@@H](CC3=CNC4=CC=CC=C34)C(N[C@@H](C)C(N[C@H](C(N[C@H]5CC6CCC6)=O)CCC(N)=O)=O)=O)=O)=O)=O)(CCCCCC/C=C\CCC[C@](NC5=O)(C(N[C@@H](CO)C(N[C@@H](C)C(N[C@@H](C)C(N)=O)=O)=O)=O)C)C)=O)=O)=O)C

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

>3 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,745.06 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.

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: Partridge AW, Kaan HYK, Juang YC, Sadruddin A, Lim S, Brown CJ, Ng S, Thean D, Ferrer F, Johannes C, Yuen TY, Kannan S, Aronica P, Tan YS, Pradhan MR, Verma CS, Hochman J, Chen S, Wan H, Ha S, Sherborne B, Lane DP, Sawyer TK. Incorporation of Putative Helix-Breaking Amino Acids in the Design of Novel Stapled Peptides: Exploring Biophysical and Cellular Permeability Properties. Molecules. 2019 Jun 20;24(12). pii: E2292. doi: 10.3390/molecules24122292. PubMed PMID: 31226791. 2: Howard TP, Arnoff TE, Song MR, Giacomelli AO, Wang X, Hong AL, Dharia NV, Wang S, Vazquez F, Pham MT, Morgan AM, Wachter F, Bird GH, Kugener G, Oberlick EM, Rees MG, Tiv HL, Hwang JH, Walsh KH, Cook A, Krill-Burger JM, Tsherniak A, Gokhale PC, Park PJ, Stegmaier K, Walensky LD, Hahn WC, Roberts CWM. MDM2 and MDM4 Are Therapeutic Vulnerabilities in Malignant Rhabdoid Tumors. Cancer Res. 2019 May 1;79(9):2404-2414. doi: 10.1158/0008-5472.CAN-18-3066. Epub 2019 Feb 12. PubMed PMID: 30755442; PubMed Central PMCID: PMC6497578. 3: Stolte B, Iniguez AB, Dharia NV, Robichaud AL, Conway AS, Morgan AM, Alexe G, Schauer NJ, Liu X, Bird GH, Tsherniak A, Vazquez F, Buhrlage SJ, Walensky LD, Stegmaier K. Genome-scale CRISPR-Cas9 screen identifies druggable dependencies in TP53 wild-type Ewing sarcoma. J Exp Med. 2018 Aug 6;215(8):2137-2155. doi: 10.1084/jem.20171066. Epub 2018 Jul 25. PubMed PMID: 30045945; PubMed Central PMCID: PMC6080915. 4: Lee XA, Verma C, Sim AYL. Designing dual inhibitors of Mdm2/MdmX: Unexpected coupling of water with gatekeeper Y100/99. Proteins. 2017 Aug;85(8):1493-1506. doi: 10.1002/prot.25310. Epub 2017 May 16. PubMed PMID: 28425639. 5: Tiwari G, Verma CS. Toward Understanding the Molecular Recognition of Albumin by p53-Activating Stapled Peptide ATSP-7041. J Phys Chem B. 2017 Feb 2;121(4):657-670. doi: 10.1021/acs.jpcb.6b09900. Epub 2017 Jan 20. PubMed PMID: 28048940. 6: Wachter F, Morgan AM, Godes M, Mourtada R, Bird GH, Walensky LD. Mechanistic validation of a clinical lead stapled peptide that reactivates p53 by dual HDM2 and HDMX targeting. Oncogene. 2017 Apr;36(15):2184-2190. doi: 10.1038/onc.2016.361. Epub 2016 Oct 10. PubMed PMID: 27721413; PubMed Central PMCID: PMC5386833. 7: Chang YS, Graves B, Guerlavais V, Tovar C, Packman K, To KH, Olson KA, Kesavan K, Gangurde P, Mukherjee A, Baker T, Darlak K, Elkin C, Filipovic Z, Qureshi FZ, Cai H, Berry P, Feyfant E, Shi XE, Horstick J, Annis DA, Manning AM, Fotouhi N, Nash H, Vassilev LT, Sawyer TK. Stapled α-helical peptide drug development: a potent dual inhibitor of MDM2 and MDMX for p53-dependent cancer therapy. Proc Natl Acad Sci U S A. 2013 Sep 3;110(36):E3445-54. doi: 10.1073/pnas.1303002110. Epub 2013 Aug 14. PubMed PMID: 23946421; PubMed Central PMCID: PMC3767549.