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Rapamycin,42-O-(2-hydroxyethyl)-(CAS No. 159351-69-6)

Rapamycin,42-O-(2-hydroxyethyl)- C53H83NO14 (cas 159351-69-6) Molecular Structure

159351-69-6 Structure

Identification and Related Records

【Name】
Rapamycin,42-O-(2-hydroxyethyl)-
【CAS Registry number】
159351-69-6
【Synonyms】
40-O-(2-Hydroxyethyl)rapamycin
42-O-(2-Hydroxy)ethylrapamycin
Certican
RAD
RAD 001
SDZ-RAD
XIENCE V
【Molecular Formula】
C53H83NO14 (Products with the same molecular formula)
【Molecular Weight】
958.22442
【Inchi】
InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1
【InChIKey】
HKVAMNSJSFKALM-GKUWKFKPSA-N
【Canonical 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)OCCO)C)C)O)OC)C)C)C)OC
【Isomers smiles】
C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C
(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C
[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC
【MOL File】
159351-69-6.mol

Chemical and Physical Properties

【Appearance】
Off-white to light yellow powd
【Density】
1.18 g/cm3
【Boiling Point】
998.7 °C at 760 mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.548
【Flash Point】
557.8 °C
【Water】
Soluble in DMSO and ethanol, up to about 25 mg/mL
【Solubilities】
Soluble in DMSO and ethanol, up to about 25 mg/mL
【Storage temp】
?20°C
【Computed Properties】
Molecular Weight:958.22442 [g/mol]
Molecular Formula:C53H83NO14
XLogP3-AA:5.9
H-Bond Donor:3
H-Bond Acceptor:14
Rotatable Bond Count:9
Tautomer Count:15
Exact Mass:957.581356
MonoIsotopic Mass:957.581356
Topological Polar Surface Area:205
Heavy Atom Count:68
Formal Charge:0
Complexity:1810
Isotope Atom Count:0
Defined Atom Stereocenter Count:15
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:4
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
T:;
【Risk Statements】
R48/25
【Safety Statements 】
S45

Use and Manufacturing

【Usage】

Macrolide immunosuppressant; derivative of Rapamycin. Inhibits cytokine-mediated lymphocyte proliferation

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

Supplier Location

Top Suppliers

Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-83214668
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Diamond member MOSINTER GROUP LIMITED
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-574-89212210
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member KEDE CHEMICAL CO., LTD.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-576-84613060
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837

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