Calcimycin hemicalcium salt | Antibiotic A-23187 hemicalcium salt | A-23187 hemicalcium salt | CAS 59450-89-4 | AnyMole

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HIT214315110

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HIT214315110

HIT ID:HIT214315110
Cas No:59450-89-4
常用名:Calcimycin hemicalcium salt
别名:Antibiotic A-23187 hemicalcium salt, A-23187 hemicalcium salt
别名:Antibiotic A-23187 hemicalcium salt, A-23187 hemicalcium salt
IUPAC:
IUPAC:
InChI key:LAQWEYASNNRUGY-UHFFFAOYSA-L

分子式:C58H72CaN6O12
分子量:1085.322
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNc1ccc2OC3=[N]4c2c1C(=O)[O-][Ca++]412([O-]C(=O)c4c5c(OC(CC6OC7(CCC6C)OC(C(C)CC7C)C(C)C(=[O]1)c1ccc[nH]1)=[N]25)ccc4NC)[O]=C(C(C)C1OC2(CCC(C)C(C3)O2)C(C)CC1C)c1ccc[nH]1 |w:53.62,41.46,c:7,t:53,^1:8,47|
SMILES:CNc1ccc2OC3=[N]4c2c1C(=O)[O-][Ca++]412([O-]C(=O)c4c5c(OC(CC6OC7(CCC6C)OC(C(C)CC7C)C(C)C(=[O]1)c1ccc[nH]1)=[N]25)ccc4NC)[O]=C(C(C)C1OC2(CCC(C)C(C3)O2)C(C)CC1C)c1ccc[nH]1 |w:53.62,41.46,c:7,t:53,^1:8,47|

Calcimycin (A-23187) hemicalcium salt is an antibiotic and a unique divalent cation ionophore (like calcium and magnesium). It induces Ca2+-dependent cell death by increasing intracellular calcium concentration.

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