(2S,6S,11R,25R,28R)-28-((4-(di-tert-butylfluorosilyl)benzamido)methyl)-4,9,16,19,27,30-hexaoxo-1-(1H-tetrazol-5-yl)-32-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)-3,5,10,15,20,26,29-heptaazadotriacontane-2,6,11,25,32-pentacarboxylic acid

ID: ALA5270524

Chembl Id: CHEMBL5270524

Max Phase: Preclinical

Molecular Formula: C61H95FN16O23Si

Molecular Weight: 1467.60

Names and Identifiers

Canonical SMILES:  CC(C)(C)[Si](F)(c1ccc(C(=O)NC[C@@H](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](Cc2nnn[nH]2)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)C(C)(C)C

Standard InChI:  InChI=1S/C61H95FN16O23Si/c1-60(2,3)102(62,61(4,5)6)37-14-12-36(13-15-37)52(89)65-32-42(67-48(82)31-43(58(99)100)78-28-26-76(34-50(85)86)24-22-75(33-49(83)84)23-25-77(27-29-78)35-51(87)88)53(90)68-39(55(93)94)10-7-8-20-63-45(79)18-19-46(80)64-21-9-11-38(54(91)92)66-47(81)17-16-40(56(95)96)69-59(101)70-41(57(97)98)30-44-71-73-74-72-44/h12-15,38-43H,7-11,16-35H2,1-6H3,(H,63,79)(H,64,80)(H,65,89)(H,66,81)(H,67,82)(H,68,90)(H,83,84)(H,85,86)(H,87,88)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H2,69,70,101)(H,71,72,73,74)/t38-,39-,40+,41+,42-,43?/m1/s1

Standard InChI Key:  HHQOAFLDKQLGMR-RKGVGXALSA-N

Alternative Forms

1. Parent:

   

   ALA5270524

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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: 1467.60

Molecular Weight (Monoisotopic): 1466.6509

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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