(R/S)-(3S,7S,12R,26R)-29-((4-(di-tert-butylfluorosilyl)benzamido)methyl)-5,10,17,20,28,31-hexaoxo-33-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)-4,6,11,16,21,27,30-heptaazatritriacontane-1,3,7,12,26,33-hexacarboxylic acid

ID: ALA5282876

Chembl Id: CHEMBL5282876

Max Phase: Preclinical

Molecular Formula: C62H97FN12O25Si

Molecular Weight: 1457.60

Names and Identifiers

Canonical SMILES:  CC(C)(C)[Si](F)(c1ccc(C(=O)NCC(NC(=O)CC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)C(C)(C)C

Standard InChI:  InChI=1S/C62H97FN12O25Si/c1-61(2,3)101(63,62(4,5)6)38-14-12-37(13-15-38)53(88)66-33-43(68-48(79)32-44(59(98)99)75-30-28-73(35-51(84)85)26-24-72(34-50(82)83)25-27-74(29-31-75)36-52(86)87)54(89)69-40(56(92)93)10-7-8-22-64-45(76)19-20-46(77)65-23-9-11-39(55(90)91)67-47(78)18-16-41(57(94)95)70-60(100)71-42(58(96)97)17-21-49(80)81/h12-15,39-44H,7-11,16-36H2,1-6H3,(H,64,76)(H,65,77)(H,66,88)(H,67,78)(H,68,79)(H,69,89)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H2,70,71,100)/t39-,40-,41+,42+,43?,44?/m1/s1

Standard InChI Key:  WKOSSKVSDDUZIM-CZLSFGLKSA-N

Alternative Forms

1. Parent:

   

   ALA5282876

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1457.60

Molecular Weight (Monoisotopic): 1456.6441

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References

1. Petrov SA, Zyk NY, Machulkin AE, Beloglazkina EK, Majouga AG..  (2021)  PSMA-targeted low-molecular double conjugates for diagnostics and therapy.,  225  [PMID:34464875] [10.1016/j.ejmech.2021.113752]

Source

Source(1):

• Scientific Literature