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2D Structure
Also known as: Sulanemadlin [inn], 6bgf28r54m, Sulanemadlin [usan], Alrn-6924, Unii-6bgf28r54m, 1451199-98-6
Molecular Formula
C95H140N20O23
Molecular Weight
1930.2  g/mol
InChI Key
VDLGAZDAHPLOIR-RLPDZDIMSA-N
FDA UNII
6BGF28R54M

Sulanemadlin is an orally available peptide inhibitor of both murine double minute 2 (MDM2) and murine double minute X (MDMX), with potential antineoplastic activity. Upon oral administration, sulanemadlin binds to both MDM2 and MDMX and interferes with their interaction with the transcriptional activation domain of the tumor suppressor protein p53. By preventing MDM2-p53 and MDMX-p53 interactions, p53 activity is restored, which leads to p53-mediated induction of tumor cell apoptosis. MDM2 and MDMX, negative regulators of p53 function, are often overexpressed in cancer cells.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(2S,5S,8S,11S,14S,17S,20S,24E,32R)-32-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-20-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-14-(3-amino-3-oxopropyl)-5-[(4-hydroxyphenyl)methyl]-8-(1H-indol-3-ylmethyl)-11,20,32-trimethyl-17-(2-methylpropyl)-3,6,9,12,15,18,33-heptaoxo-1,4,7,10,13,16,19-heptazacyclotritriacont-24-en-2-yl]propanoic acid
2.1.2 InChI
InChI=1S/C95H140N20O23/c1-50(2)44-69(106-60(13)117)88(133)113-76(59(12)116)91(136)111-72(46-61-30-24-23-25-31-61)90(135)115-95(15)43-29-22-20-18-16-17-19-21-28-42-94(14,92(137)105-58(11)82(127)103-56(9)81(126)102-55(8)80(125)101-54(7)79(124)100-53(6)78(123)99-52(5)77(97)122)114-89(134)70(45-51(3)4)108-84(129)67(38-40-74(96)119)107-83(128)57(10)104-86(131)73(48-63-49-98-66-33-27-26-32-65(63)66)110-87(132)71(47-62-34-36-64(118)37-35-62)109-85(130)68(112-93(95)138)39-41-75(120)121/h17,19,23-27,30-37,49-59,67-73,76,98,116,118H,16,18,20-22,28-29,38-48H2,1-15H3,(H2,96,119)(H2,97,122)(H,99,123)(H,100,124)(H,101,125)(H,102,126)(H,103,127)(H,104,131)(H,105,137)(H,106,117)(H,107,128)(H,108,129)(H,109,130)(H,110,132)(H,111,136)(H,112,138)(H,113,133)(H,114,134)(H,115,135)(H,120,121)/b19-17+/t52-,53+,54+,55+,56+,57+,58+,59-,67+,68+,69+,70+,71+,72+,73+,76+,94+,95-/m1/s1
2.1.3 InChI Key
VDLGAZDAHPLOIR-RLPDZDIMSA-N
2.2 Other Identifiers
2.2.1 UNII
6BGF28R54M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Sulanemadlin [inn]

2. 6bgf28r54m

3. Sulanemadlin [usan]

4. Alrn-6924

5. Unii-6bgf28r54m

6. 1451199-98-6

7. Alrn6924

8. N-acetyl-l-leucyl-l-threonyl-l-phenylalanyl-cyclo(d-r8-l-glutamyl-ltyrosyl-ltryptophanyl-l-alanyl-l-glutaminyl-l-leucyl-l-s5)-l-alanyl-lalanyl-l-alanyl-l-alanyl-lalanyl-d-alanylamide

9. Sulanemadlin [usan:inn]

10. Alrn 6924

11. Who 11411

12. Sulanemadlin (usan/inn)

13. Alrn 6924 [who-dd]

14. Glxc-27604

15. Hy-p4210

16. Cs-0650265

17. D12399

18. C2.11,c2.4-[(4e)-undec-4-ene-1,11-diyl](n-acetyl-lleucyl-l-threonyl-l-phenylalanyl-l-alanyl-l-alpha-glutamyll-tyrosyl-l-tryptophyl-l-alanyl-l-glutaminyl-l-leucyl-d-alanyl-l-alanyl-l-alanyl-l-alanyl-l-alanyl-l-alanyl-d-alaninamide)

19. D-alaninamide, 42,112-(7e)-7-undecene-1,11-diyl-n-acetyl-l-leucyl-lthreonyl-l-phenylalanyl-l-alanyl-l-alpha-glutamyl-l-tyrosyl-l-tryptophyl-l-alanyl-l-glutaminyl-l-leucyl-d-alanyl-l-alanyl-l-alanyl-l-alanyl-l-alanyl-l-alanyl-

2.4 Create Date
2022-07-07
3 Chemical and Physical Properties
Molecular Weight 1930.2 g/mol
Molecular Formula C95H140N20O23
XLogP33.6
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count23
Rotatable Bond Count37
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area674
Heavy Atom Count138
Formal Charge0
Complexity4220
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1