C 21

C 21 is a selective inhibitor of protein arginine methyltransferase 1 (PRMT1) (IC50 = 1.8 μM), which displays five-fold selectivity for PRMT1 over PRMT6 and >250-fold selectivity over PRMT3 and CARM1.

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CAT#	R0979
CAS	1229236-78-5
M.F/Formula	C90H161ClN36O24
M.W/Mr.	2166.94
Sequence	SGXGKGGKGLGKGGAKRHRKV(Modifications: Ser-1 = N-terminal Ac, X = N5-(2-Chloro-1-iminoethyl)]-Orn)
Labeling Target	Protein arginine methyltransferase 1 (PRMT1)
Appearance	White lyophilised solid
Purity	>98%
Activity	Inhibitor

Storage	-20°C
Solubility	Soluble in water
InChI	InChI=1S/C90H161ClN36O24/c1-50(2)36-63(121-74(137)47-111-79(141)57(22-9-14-30-94)117-70(133)43-107-68(131)41-109-77(139)55(20-7-12-28-92)118-71(134)44-110-80(142)58(25-17-33-103-66(97)38-91)120-73(136)46-113-82(144)65(48-128)116-53(6)129)81(143)112-45-72(135)119-56(21-8-13-29-93)78(140)108-40-67(130)106-42-69(132)115-52(5)76(138)122-59(23-10-15-31-95)83(145)124-62(27-19-35-105-90(100)101)85(147)126-64(37-54-39-102-49-114-54)87(149)125-61(26-18-34-104-89(98)99)84(146)123-60(24-11-16-32-96)86(148)127-75(51(3)4)88(150)151/h39,49-52,55-65,75,128H,7-38,40-48,92-96H2,1-6H3,(H2,97,103)(H,102,114)(H,106,130)(H,107,131)(H,108,140)(H,109,139)(H,110,142)(H,111,141)(H,112,143)(H,113,144)(H,115,132)(H,116,129)(H,117,133)(H,118,134)(H,119,135)(H,120,136)(H,121,137)(H,122,138)(H,123,146)(H,124,145)(H,125,149)(H,126,147)(H,127,148)(H,150,151)(H4,98,99,104)(H4,100,101,105)/t52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,75-/m0/s1
InChI Key	OANJWIVLLOAGEG-CQSMXCMYSA-N
Isomeric SMILES	C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)CCl)NC(=O)CNC(=O)[C@H](CO)NC(=O)C

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