+++Поиск по SF

[boberk]

Здравствуйте! Помогите, пожалуйста, с поиском способов получения, физических свойств следующих соединений:

1. Everolimus
CAS number 159351-69-6
SMILES:OCCO[C@@H]1CC[C@H](C[C@@H]©[C@@H]2OC(=O)C3CCCCN3C(=O)C(=O)[C@@]3(O)O[C@H] (CC[C@H]3C)C[C@H](OC)C(=CC=CC=C[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(= C[C@@H](C)C(=O)C2)C)C)C[C@H]1OC


2. Ridaforolimus
CAS number 572924-54-0
SMILES: CC1CCC2CC(/C(=C/C=C/C=C/C(CC(C(=O)C(C(/C(=C/C(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OP(=O)(C)C)C)/C)O)OC)C)C)/C)OC

3. Temsirolimus
CAS number 162635-04-3
SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC

Временной период поиска: по умолчанию

Заранее большое спасибо.

[Serty]

Reaxys
У вас в 1 smiles какая-то ошибка, это соединение пришлось вытаскивать через CAS.

[boberk]

Ошибку исправил. ОГромное спасибо за помощь!

[suprachemister]

SF

159351-69-6

[cut]Experimental Properties: Biological Chemical Spectra
Top
Biological Properties Value Condition Note
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (2)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (3)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (4)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (5)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (6)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (7)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (8)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (9)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (10)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (11)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (12)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (13)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (14)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (15)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (16)CAS
Half-Life (Biological) See full text (8)CAS
Half-Life (Biological) See full text (10)CAS
Half-Life (Biological) See full text (11)CAS
Half-Life (Biological) See full text (12)CAS
Half-Life (Biological) See full text (13)CAS
Half-Life (Biological) See full text (14)CAS
Half-Life (Biological) See full text (15)CAS
Half-Life (Biological) See full text (16)CAS
Top
Chemical Properties Value Condition Note
Acid/Base Dissociation Constant (Ka/Kb) See full text (1)CAS
Partition Coefficient See full text (1)CAS
Top
Spectra Properties Value Condition Note
Mass Spectrum See full text (17)CAS

1. (1) Porta, Tiffany; Journal of Mass Spectrometry 2011, V46(2), P144-152CAPLUS
2. (2) Budde, Klemens; Nephrology, Dialysis, Transplantation 2004, V19(10), P2606-2614CAPLUS
3. (3) Kovarik, John M.; Therapeutic Drug Monitoring 2004, V26(5), P499-505CAPLUS
4. (4) Nashan, Bjoern; Transplantation 2004, V78(9), P1332-1340CAPLUS
5. (5) Baetta, Roberta; Journal of Pharmacology and Experimental Therapeutics 2009, V328(2), P419-425CAPLUS
6. (6) Ramalingam, Suresh S.; Cancer (Hoboken, NJ, United States) 2010, V116(16), P3903-3909CAPLUS
7. (7) Jerusalem, Guy; Breast Cancer Research and Treatment 2011, V125(2), P447-455CAPLUS
8. (8) Kovarik, J. M.; European Journal of Clinical Pharmacology 2005, V61(1), P35-38CAPLUS
9. (9) Quek, Richard; Clinical Cancer Research 2011, V17(4), P871-879CAPLUS
10. (10) Kovarik, J. M.; Journal of Clinical Pharmacology 2005, V45(5), P514-518CAPLUS
11. (11) Tanaka, Chiaki; Journal of Clinical Oncology 2008, V26(10), P1596-1602CAPLUS
12. (12) Tabernero, Josep; Journal of Clinical Oncology 2008, V26(10), P1603-1610CAPLUS
13. (13) Budde, K.; European Journal of Medical Research 2005, V10(4), P169-174CAPLUS
14. (14) Campone, M.; British Journal of Cancer 2009, V100(2), P315-321CAPLUS
15. (15) O'Reilly, Terence; Cancer Chemotherapy and Pharmacology 2011, V67(1), P193-200CAPLUS
16. (16) Fouladi, Maryam; Journal of Clinical Oncology 2007, V25(30), P4806-4812CAPLUS
17. (17) Taylor, Paul J.; Journal of Chromatography, B: Analytical Technologies in the Biomedical and Life Sciences 2007, V848(2), P208-214[/cut]


572924-54-0


[cut]Experimental Properties: Spectra
Top
Spectra Properties Value Condition Note
Mass Spectrum See full text (1)CAS
Phosphorus-31 NMR Spectrum See full text (1)CAS
Proton NMR Spectrum See full text (1)CAS

1. (1) Metcalf, Chester A., III; US 20050032825 A1 2005[/cut]


162635-04-3

[cut]Experimental Properties: Biological Spectra
Top
Biological Properties Value Condition Note
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (1)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (2)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (3)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (4)CAS
ADME (Absorption, Distribution, Metabolism, Excretion) See full text (5)CAS
Half-Life (Biological) See full text (2)CAS
Half-Life (Biological) See full text (3)CAS
Half-Life (Biological) See full text (5)CAS
Top
Spectra Properties Value Condition Note
Carbon-13 NMR Spectrum See full text (6)CAS
Mass Spectrum See full text (6)CAS
Mass Spectrum See full text (7)CAS
Proton NMR Spectrum See full text (6)CAS

1. (1) Farag, Sherif S.; Leukemia Research 2009, V33(11), P1475-1480CAPLUS
2. (2) Chang, Susan M.; Investigational New Drugs 2004, V22(4), P427-435CAPLUS
3. (3) Boni, J. P.; British Journal of Cancer 2008, V98(11), P1797-1802CAPLUS
4. (4) Boni, Joseph P.; Clinical Pharmacology & Therapeutics (St. Louis, MO, United States) 2005, V77(1), P76-89CAPLUS
5. (5) Obach, R. Scott; Drug Metabolism and Disposition 2008, V36(7), P1385-1405CAPLUS
6. (6) Gu, Jianxin; Organic Letters 2005, V7(18), P3945-3948CAPLUS
7. (7) Chew, Warren; US 20050033046 A1 2005CAPLUS[/cut]

[boberk]

Большое спасибо.