XL413 hydrochloride | BMS-863233;XL413;BMS-863233 hydrochloride | CDK

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产品名称	Cdc ↓ ↑	CDK1 ↓ ↑	CDK19 ↓ ↑	CDK2 ↓ ↑	CDK3 ↓ ↑	CDK4 ↓ ↑	CDK5 ↓ ↑	CDK6 ↓ ↑	CDK7 ↓ ↑	CDK8 ↓ ↑	CDK9 ↓ ↑	CLK ↓ ↑	其他靶点	纯度
XL413 HCl	++++ Cdc7, IC50: 3.4 nM													99%+
SU9516		+++ CDK1, IC50: 40 nM		+++ CDK2, IC50: 22 nM		++ CDK4, IC50: 200 nM								99%+
RO-3306		+++ CDK1, Ki: 20 nM											SGK,ERK	98%
R547		++++ CDK1/CyclinB, Ki: 2 nM		++++ CDK2/CyclinE, Ki: 3 nM		++++ CDK4/CyclinD1, Ki: 1 nM								99%+
BMS-265246		++++ CDK1/CyclinB, IC50: 6 nM		++++ CDK2/CyclinE, IC50: 9 nM		+ CDK4/CyclinD, IC50: 230 nM								99%+
NU6027		+ CDK1, Ki: 2.5 μM		+ CDK2, Ki: 1.3 μM									DNA-PK	98%
Purvalanol A	++++ Cdc2/CyclinB, IC50: 4 nM			+++ CDK2/CyclinE, IC50: 35 nM CDK2/CyclinA, IC50: 70 nM		+ CDK4/CyclinD1, IC50: 850 nM								99%+
SCH900776				++ CDK2, IC50: 0.16 μM										99%+
AUZ 454				++++ CDK2(C118L), Kd: 18.6 nM CDK2(A144C), Kd: 9.7 nM										99%+
A-674563 HCl				++ CDK2, Ki: 46 nM									PKA	99%
JNJ-7706621		++++ CDK1/CyclinB, IC50: 9 nM		++++ CDK2/CyclinE, IC50: 3 nM CDK2/CyclinA, IC50: 4 nM	++ CDK3/CyclinE, IC50: 58 nM	+ CDK4/CyclinD1, IC50: 253 nM		++ CDK6/CyclinD1, IC50: 175 nM						99%+
AT7519		++ CDK1/CyclinB, IC50: 210 nM		++ CDK2/CyclinA, IC50: 47 nM	+ CDK3/CyclinE, IC50: 360 nM	++ CDK4/CyclinD1, IC50: 100 nM	+++ CDK5/p35, IC50: 13 nM	++ CDK6/CyclinD3, IC50: 170 nM			++++ CDK9/CyclinT, IC50: <10 nM			98+%
PHA-793887		++ CDK1/CyclinB, IC50: 60 nM		++++ CDK2/CyclinE, IC50: 8 nM CDK2/CyclinA, IC50: 8 nM		++ CDK4/CyclinD1, IC50: 62 nM	++++ CDK5/p25, IC50: 5 nM		++++ CDK7/CyclinH, IC50: 10 nM		++ CDK9/CyclinT1, IC50: 138 nM			99%+
Milciclib		+ CDK1/CyclinB, IC50: 398 nM		++ CDK2/CyclinE, IC50: 363 nM CDK2/CyclinA, IC50: 45 nM		++ CDK4/CyclinD1, IC50: 160 nM	+ CDK5/p35, IC50: 265 nM		++ CDK7/CyclinH, IC50: 150 nM					99%+
Kenpaullone		+ CDK1/CyclinB, IC50: 0.4μM		+ CDK2/CyclinE, IC50: 7.5μM CDK2/CyclinA, IC50: 0.68μM			+ CDK5/p35, IC50: 0.85μM							98%
SNS-032				+++ CDK2/CyclinE, IC50: 48 nM CDK2/CyclinA, IC50: 38 nM			+ CDK5/p35, IC50: 340 nM		++ CDK7/CyclinH, IC50: 62 nM		++++ CDK9/CyclinT, IC50: 4 nM			99%+
Dinaciclib		++++ CDK1, IC50: 3 nM		++++ CDK2, IC50: 1 nM			++++ CDK5, IC50: 1 nM				++++ CDK9, IC50: 4 nM			99%+
PHA-767491 HCl	++++ Cdc7, IC50: 10 nM	+ CDK1, IC50: 250 nM		+ CDK2, IC50: 240 nM			+ CDK5, IC50: 460 nM				+++ CDK9, IC50: 34 nM		MK2	99%
(R)-Roscovitine	+ Cdc2/CyclinB, IC50: 0.65 μM			+ CDK2/CyclinE, IC50: 0.7 μM CDK2/CyclinA, IC50: 0.7 μM			++ CDK5/p35, IC50: 0.16 μM							99%+
Narazaciclib						++++ CDK4/CyclinD1, IC50: 3.87 nM		++++ CDK6/CyclinD1, IC50: 9.82 nM					RET	99%+
Palbociclib						++++ CDK4/CyclinD3, IC50: 9 nM CDK4/CyclinD1, IC50: 11 nM		+++ CDK6/CyclinD2, IC50: 15 nM						99%
Abemaciclib						++++ CDK4, IC50: 2 nM		++++ CDK6, IC50: 10 nM						99%
Ribociclib						++++ CDK4, IC50: 10 nM		+++ CDK6, IC50: 39 nM						98%
Palbociclib isethionate						++++ CDK4/CyclinD3, IC50: 9 nM CDK4/CyclinD1, IC50: 11 nM		+++ CDK6/CyclinD2, IC50: 15 nM						99%+
BS-181 HCl									+++ CDK7, IC50: 21 nM					99%+
(E/Z)-THZ1 2HCl									++++ CDK7, IC50: 3.2 nM					99%+
LDC4297									++++ CDK7, IC50: 0.13 nM					99%+
Senexin A			+ CDK19, Kd: 0.31 μM							+ CDK8, Kd: 0.83 μM				99%
MSC2530818										++++ CDK8, IC50: 2.6 nM				99%+
Wogonin											✔			99%+
Riviciclib HCl		++ CDK1/CyclinB, IC50: 79 nM		+ CDK2/CyclinE, IC50: 2.54 μM CDK2/CyclinA, IC50: 224 nM		++ CDK4/CyclinD1, IC50: 63 nM		+ CDK6/CyclinD3, IC50: 396 nM	+ CDK7/CyclinH, IC50: 2.87 μM		+++ CDK9/CyclinT1, IC50: 20 nM			98%
LDC000067				+ CDK2, IC50: 2.441 μM							++ CDK9, IC50: 44 nM			98%
Flavopiridol		+++ CDK1, IC50: 40 nM		+++ CDK2, IC50: 40 nM		+++ CDK4, IC50: 40 nM		+++ CDK6, IC50: 40 nM	+ CDK7, IC50: 300 nM		+++ CDK9, IC50: 20 nM			99%+
LY2857785									+ CDK7, IC50: 0.246 μM	+++ CDK8, IC50: 0.016 μM	+++ CDK9, IC50: 0.011 μM			99%+
AZD-5438		+++ CDK1, IC50: 16 nM		++++ CDK2, IC50: 6 nM							+++ CDK9, IC50: 20 nM			99%+
ML167												++ Dyrk1B , IC50: 1648 nM CLK4, IC50: 136 nM		99%+
(E/Z)-TG003												+++ mCLK1, IC50: 200 nM mCLK4, IC50: 15 nM		99%+
1. 鼠标悬停在“+”上可以显示相关IC50的具体数值。"+"越多，抑制作用越强。2. "✔"表示该化合物对相应的亚型有抑制作用，但抑制强度暂时没有相关数据。

靶点	Cdc Cdc7, IC50:3.4 nM
描述	XL413 (BMS-863233) hydrochloride is an orally active and selective CDC7 inhibitor (IC50=3.4 nM). XL413 hydrochloride exhibits favorable pharmacokinetic profiles and effectively suppresses tumor growth in rodent models. XL413 hydrochloride serves as a valuable tool in cancer research ^[1].

Cell Line HeLa cells K562 cells K562 cells A375 cells M14 cells SKMEL-239 cells SKOV-3 cells OVCAR-3 cells Xenopus egg extracts H69-AR cells H446-DDP cells	Concentration	Treated Time	Description	References
HeLa cells	10 µM	2 hours	Test the effect of XL413 on the phosphorylation of Mcm4 in HeLa cells, showing that XL413 suppressed the phosphorylation of chromatin-bound Mcm4 as well as Mcm2 at S40 and S53.	Cell Rep. 2017 Mar 7;18(10):2508-2520.
K562 cells	33 µM	24 hours	Increase the efficiency of homology-directed repair (HDR), HDR increased by 1.8-fold	Nat Commun. 2020 Apr 30;11(1):2109.
K562 cells	10 µM	24 hours	Optimize CDC7 inhibition, explore the impact of different exposure timing on HDR	Nat Commun. 2020 Apr 30;11(1):2109.
A375 cells	1 µM	24 hours	XL413 treatment inhibited the short-term survival and long-term growth of A375 cells and significantly inhibited cell growth in soft agar.	iScience. 2022 Jul 15;25(8):104752.
M14 cells	1 µM	24 hours	XL413 treatment inhibited the short-term survival and long-term growth of M14 cells and significantly inhibited cell growth in soft agar.	iScience. 2022 Jul 15;25(8):104752.
SKMEL-239 cells	1 µM	24 hours	XL413 treatment inhibited the short-term survival and long-term growth of SKMEL-239 cells and significantly inhibited cell growth in soft agar.	iScience. 2022 Jul 15;25(8):104752.
SKOV-3 cells	10.0 µM	36 hours	Evaluate the cell viability inhibition rate of sequential treatment with XL413 and carboplatin, results showed that sequential treatment with CBP followed by XL413 significantly increased the inhibition rate	Transl Oncol. 2024 Jan;39:101825.
OVCAR-3 cells	10.0 µM	36 hours	Evaluate the cell viability inhibition rate of sequential treatment with XL413 and carboplatin, results showed that sequential treatment with CBP followed by XL413 significantly increased the inhibition rate	Transl Oncol. 2024 Jan;39:101825.
Xenopus egg extracts	100 µM	40 minutes	Evaluate the effect of XL413 on the phosphorylation of Mcm4 and Mcm2, showing that XL413 only delayed the hyper-phosphorylation of Mcm4 but efficiently inhibited the phosphorylation of Mcm2 at S40 and S53.	Cell Rep. 2017 Mar 7;18(10):2508-2520.
H69-AR cells	50 µM	48 hours	To evaluate the synergistic effect of XL413 with chemotherapy, the results showed that the combination of XL413 and chemotherapy significantly inhibited cell growth.	Cell Death Discov. 2023 Feb 2;9(1):40.
H446-DDP cells	80 µM	48 hours	To evaluate the synergistic effect of XL413 with chemotherapy, the results showed that the combination of XL413 and chemotherapy significantly inhibited cell growth.	Cell Death Discov. 2023 Feb 2;9(1):40.

Species Nude mice Mice BALB/c Nude mice Nude mice C57BL/6 mice	Animal Model H69-AR xenograft model OVCAR8 tumor xenograft and PDX mouse models, HGS1 mouse model Subcutaneous and intraperitoneal tumor models Athymic nude mice Orthotopic xenograft model	Administration	Dosage	Frequency	Description	References
Nude mice	H69-AR xenograft model	Intraperitoneally	20 mg/kg	Administered on day 1, 3, and 5 of each cycle for 3 cycles, each cycle lasting 7 days	To evaluate the synergistic effect of XL413 with chemotherapy, the results showed that the combined treatment significantly inhibited tumor growth.	Cell Death Discov. 2023 Feb 2;9(1):40.
Mice	OVCAR8 tumor xenograft and PDX mouse models, HGS1 mouse model	Intraperitoneal injection	40 mg/kg	Every 2 days	Enhancement of anti-tumor immunity and improved therapeutic outcomes.	Adv Sci (Weinh). 2024 Dec;11(45):e2403782
BALB/c Nude mice	Subcutaneous and intraperitoneal tumor models	Oral gavage	50 mg/kg	5 days per week for 3 weeks	Evaluate the in vivo efficacy of sequential treatment with carboplatin and XL413 against ovarian cancer, results showed that sequential treatment significantly inhibited tumor growth and prolonged survival	Transl Oncol. 2024 Jan;39:101825.
Nude mice	Athymic nude mice	Intraperitoneal injection	50 mg/kg	Every other day until the end of the experimental period	XL413 treatment inhibited melanoma tumor growth and metastasis in mice.	iScience. 2022 Jul 15;25(8):104752.
C57BL/6 mice	Orthotopic xenograft model	Oral	50 mg/kg	6 days per week	Limited tumor growth and prolonged mouse survival.	Int J Biol Sci. 2023 Jul 3;19(11):3412-3427

CAS号	1169562-71-3
分子式	C₁₄H₁₃Cl₂N₃O₂
分子量	326.18
SMILES Code	O=C1C(OC2=CC=C(Cl)C=C23)=C3N=C([C@H]4NCCC4)N1.[H]Cl
MDL No.	MFCD28023577

别名	BMS-863233; XL413; BMS-863233 hydrochloride
运输	蓝冰

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Caco2 cells	Function assay		Induction of apoptosis in human Caco2 cells assessed as increase in caspase 3/7 activity, EC50=2.288 μM	22560567
human Caco2 cells	Function assay	4 h	Inhibition of CDC7 in human Caco2 cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs, IC50=0.14 μM	22560567
human Caco2 cells	Proliferation assay		Antiproliferative activity against human Caco2 cells assessed as inhibition of anchorage-independent growth in soft agar, IC50=0.715 μM	22560567
human MDA-MB-231T cells	Function assay	4 h	Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs, IC50=0.118 μM	22560567

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全球学术期刊中引用的产品

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